Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:28 UTC
Update Date2025-03-21 18:39:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125752
Frequency20.4
Structure
Chemical FormulaC9H12N2O
Molecular Mass164.095
SMILESOc1cncc(C2CCCN2)c1
InChI KeyWUSBUJSXFKPPKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • pyrrolidinylpyridine
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • amine