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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:37 UTC
Update Date2025-03-21 18:33:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094682
Frequency29.4
Structure
Chemical FormulaC9H9N5
Molecular Mass187.0858
SMILESNc1nnc(-c2ccccc2)c(N)n1
InChI KeyIGICDOGCTIXJCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass 1,2,4-triazines
Direct Parent 1,2,4-triazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • 1,2,4-triazine
  • amine