Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:37:51 UTC
Update Date2025-03-21 18:47:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00152236
Frequency27.0
Structure
Chemical FormulaC5H7N3O
Molecular Mass125.0589
SMILESNc1ccnc(O)c1N
InChI KeyBHTKBUHNIZPKSG-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
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • amine
  • organooxygen compound