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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:42:38 UTC
Update Date2025-03-24 20:52:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01592334
Frequency0.8
Structure
Chemical FormulaC6H8N2O
Molecular Mass124.0637
SMILESCNc1ccnc(O)c1
InChI KeyKISWBRMJFGGQNK-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • amine
  • organooxygen compound