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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:11:02 UTC
Update Date2025-03-25 00:36:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02088383
Frequency0.6
Structure
Chemical FormulaC6H7N3O
Molecular Mass137.0589
SMILESNc1ccc(=O)nc(N)c1
InChI KeyWKIILFYRYYXTQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • azepine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound