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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:49:35 UTC
Update Date2025-03-25 01:12:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02314969
Frequency0.5
Structure
Chemical FormulaC5H6N4O
Molecular Mass138.0542
SMILESNc1ccnc(N)c1N=O
InChI KeyLAQPTEDHUHMSNW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • c-nitroso compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyridines and derivatives
    • Substituents
  • organic nitroso compound
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • imidolactam
  • amine