1h-1,2,4-triazole
fo-93da2c8d0ef782f6
Identity
- Type
- Neutral molecule
- CAS
- 288-88-0
- EC
- 206-022-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
3- 3,4-Diazapyrrole
- 4H-1,2,4-Triazole
- s-Triazole
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5) |
| IUPAC name chemrof:IUPAC_name | 1h-1,2,4-triazole |
| Molecular formula chemrof:molecular_formula | C2H3N3 |
| Molecular mass chemrof:molecular_mass | 69.067 |
| Monoisotopic mass chemrof:monoisotopic_mass | 69.032697, 69.0327 |
| SMILES string chemrof:smiles_string | c1nc[nH]n1 |
Known URLs
20Where 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:104767 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=288-88-0 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=63598-71-0 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35550 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.476 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0682 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6027131 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03594 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=83128 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL15571 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:122679 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/10MS0Y1RDI | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244868 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.455K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52431 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL15571 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9257 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=023082 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q161300 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/1,2,4-Triazole | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ee952490-5585-450f-8c55-4bcf8960aaac | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 9952800e-7051-4c88-95e7-98b543762b98 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| abc2d49f-d50b-4030-b6d8-c5ad929adea6 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| c0754405-bd71-408e-b5b4-af22c3769ee2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4da809c9-63d3-4cd7-9124-9b2b77ecb381 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 6fbf28f4-2a58-49cc-8dc9-5fb00f8b7fcb | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 9e1342be-94bb-412e-887d-36fdeb0d4301 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 8440b5cd-b1b7-4ae7-b3da-88075eb757c5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 3d2717a1-13e5-4900-a419-fe7007267122 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 358f2bdb-0a71-4047-b840-3d18cd2db6e6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 838ee846-a431-4ca9-81da-d3886c627ade | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ab7145ef-dd60-49c9-8b83-0710172a39ce | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| db94d293-fd75-42ba-84b2-f354e753c7b5 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"seed_uuid": "358f2bdb-0a71-4047-b840-3d18cd2db6e6",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"288-88-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=288-88-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=288-88-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"206-022-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=206-022-9"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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