Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:52 UTC
Update Date2025-03-21 18:39:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126748
Frequency20.2
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESCc1ncc(CN)cc1O
InChI KeyCNEVCFGFLNBZNF-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
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound