Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:12:45 UTC
Update Date2025-03-24 20:13:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01377988
Frequency0.9
Structure
Chemical FormulaC7H9N3
Molecular Mass135.0796
SMILESc1ncc(C2CNC2)cn1
InChI KeyLLDMTOBIYCDPNG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • pyrimidine
  • azetidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine