Amitrole
fo-4e6f2ec23a23e58e
Identity
- Type
- Neutral molecule
- CAS
- 61-82-5
- EC
- 200-521-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
2
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
39- (4H-1,2,4-Triazol-3-yl)amine
- 1,2,4-Triazol-5-amine
- 1H-1,2,4-triazol-3-amine
- 1H-1,2,4-triazol-3-ylamine
- 1H-1,2,4-Triazol-5-amine
- 1H-1,2,4-Triazolamine
- 1H-1,2,4-Triazole, 3-amino-
- 2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene
- 2-Amino-1,3,4-triazole
- 3,A-T
- 3-Amino-1,2,4-triazole
- 3-amino-1H-1,2,4-triazole
- 3-Amino-2H-1,2,4-triazole
- 3-amino-s-triazole
- 3-aminotriazole
- 3-AT
- 4H-3-Amino-1,2,4-triazole
- 5-Amino-1,2,4-triazole
- 5-Amino-1H-1,2,4-triazole
- Amerol
- Aminotriazole
- Aminotriazole (plant regulator)
- Amitrol
- Amitrol 90
- Amitrol T
- Amizol
- ATA
- ATA (amine)
- Azaplant
- Azolan
- Cytrol
- Cytrole
- Herbidal total
- Herbizole
- Maxata
- s-Triazole, 3-amino-
- TMG
- Triazol-3-amine
- Weedazol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KLSJWNVTNUYHDU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6) |
| IUPAC name chemrof:IUPAC_name | 1H-1,2,4-triazol-3-amine |
| Molecular formula chemrof:molecular_formula | C2H4N4 |
| Molecular mass chemrof:molecular_mass | 84.082 |
| Monoisotopic mass chemrof:monoisotopic_mass | 84.043596, 84.0436 |
| SMILES string chemrof:smiles_string | Nc1nc[nH]n1 |
Known URLs
41Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| beilstein | beilstein:107687 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=61-82-5 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=65312-61-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=65312-62-1 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/XZ3ABF10.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:40036 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.474 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.059.705 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0631 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0020076 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=34809 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7243 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL232801 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:200706 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZF80H5GXUF | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245804 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2933.99.85.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.345K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11261 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11261 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-4595 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52240 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD0-1491 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44331 | enrich_references.pubchem_identifier_url |
| patent | patent:AU2012202062 | enrich_references.chebi_xrefs |
| patent | patent:WO2007147209 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:3TR | enrich_references.chebi_xrefs |
| pesticides | pesticides:amitrole | enrich_references.chebi_xrefs |
| ppdb | ppdb:31 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/1639 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3077 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020339 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11673067 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17549540 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25820916 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7546330 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7986209 | enrich_references.chebi_xrefs |
| reaxys | reaxys:107687 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q423314 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/3-amino-1,2,4-triazole | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Amitrole | enrich_references.chebi_xrefs |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86c88da-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-953b-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| df267812-c4dc-478e-b188-29610a408e29 | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-953a-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9c06-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9539-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9537-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-af75-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| a8992bc332f276d3705000e2a4959c966706717a | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9538-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9c08-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-af76-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| e6f142582c3b88526ce8f0451682759854e1fab0 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9c07-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| d6f739b3ab40e2ced2349f41dd1173e855812a4c | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9c09-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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{
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},
{
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},
{
"@value": "Aminotriazole",
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{
"@value": "Aminotriazole (plant regulator)",
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},
{
"@value": "Amitrol",
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},
{
"@value": "Amitrol 90",
"@language": "en",
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},
{
"@value": "Amitrol T",
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},
{
"@value": "Amizol",
"@language": "en",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
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},
{
"@value": "ATA",
"@language": "en",
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}
},
{
"@value": "ATA (amine)",
"@language": "en",
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}
},
{
"@value": "Azaplant",
"@language": "en",
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"provenance": {
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Azolan",
"@language": "en",
"@lang": "en",
"provenance": {
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works