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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:36:24 UTC
Update Date2025-03-24 20:23:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01434391
Frequency0.9
Structure
Chemical FormulaC7H9N3
Molecular Mass135.0796
SMILESNc1ccc2c(c1)NCN2
InChI KeyDEECGXPPIYDKHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzimidazoles
Subclass benzimidazoles
Direct Parent benzimidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary amines
  • secondary alkylarylamines
    • Substituents
  • azacycle
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic heteropolycyclic compound
  • benzimidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine