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1-acetyl-2-isonicotinoylhydrazine

fo-4595006e8014319d

Identity

Type
Neutral molecule
CAS
1078-38-2
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-acetyl-2-isonicotinoylhydrazine

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CVBGNAKQQUWBQV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)
IUPAC name chemrof:IUPAC_name 1-acetyl-2-isonicotinoylhydrazine
Molecular formula chemrof:molecular_formula C8H9N3O2
Molecular mass chemrof:molecular_mass 179.179
Monoisotopic mass chemrof:monoisotopic_mass 179.069477, 179.06948
SMILES string chemrof:smiles_string CC(=O)NNC(=O)c1ccncc1

Known URLs

16

Where 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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1078-38-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7207 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020013 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1442231 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J42942UVUN enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041821 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.173H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07585 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07585 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49561 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA166131582 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/71602 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=058504 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12503812 enrich_references.chebi_xrefs
reaxys reaxys:154108 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27107456 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
172b2801-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-a1ab-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6c071d37-2e05-4d5b-961f-27cad9e3ebdf Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-a1aa-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a1ac-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-a1a9-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-8d53-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-91f9-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-a1a8-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-91f7-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-91fa-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-91f6-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
889b83d189586d58019284ea6178b5db4b722778 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-91f8-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-4595006e8014319d",
  "prefLabel": [
    {
      "@value": "1-acetyl-2-isonicotinoylhydrazine",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "4-Pyridinecarboxylic acid, 2-acetylhydrazide",
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