Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:48 UTC
Update Date2025-03-25 01:02:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253447
Frequency0.5
Structure
Chemical FormulaC11H11N3
Molecular Mass185.0953
SMILESNc1nccnc1Cc1ccccc1
InChI KeyQUMTUMRZWRCBQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrazines
Direct Parent pyrazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine