Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:59 UTC
Update Date2025-03-21 18:38:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119944
Frequency21.7
Structure
Chemical FormulaC12H15N4+
Molecular Mass215.1291
SMILESCc1ccc[n+](Cc2cnc(C)nc2N)c1
InChI KeyINJSPOBQHYBGNS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic cations
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • pyrimidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic cation
  • imidolactam
  • amine