Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:39 UTC
Update Date2025-03-25 01:00:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241599
Frequency0.5
Structure
Chemical FormulaC8H13N3
Molecular Mass151.1109
SMILESCC(N)C(N)c1ccccn1
InChI KeyPKLDKBQQZIPAPT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound