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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:49:18 UTC
Update Date2025-03-24 20:29:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01463889
Frequency0.9
Structure
Chemical FormulaC6H11N3
Molecular Mass125.0953
SMILESNCc1c[nH]c(CN)c1
InChI KeyVJBVADBEAHOUEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound