Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:05:01 UTC
Update Date2025-03-21 23:07:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00639213
Frequency2.5
Structure
Chemical FormulaC8H12N2
Molecular Mass136.1
SMILESCc1ccc(C(C)N)nc1
InChI KeyXXAOROMGOIPMQJ-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
  • methylpyridines
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound