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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:10 UTC
Update Date2025-03-21 18:28:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00072144
Frequency41.5
Structure
Chemical FormulaC6H6N6
Molecular Mass162.0654
SMILESNc1ncnc(N)c2ncnc1-2
InChI KeyXWNBABOQBUDCMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazodiazepines
Subclass imidazodiazepines
Direct Parent imidazodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-diazepines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organopnictogen compounds
  • primary amines
    • Substituents
  • meta-diazepine
  • azacycle
  • heteroaromatic compound
  • imidazo-meta-diazepine
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • azole