Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:43 UTC
Update Date2025-03-21 18:34:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099805
Frequency27.5
Structure
Chemical FormulaC10H9N3
Molecular Mass171.0796
SMILESNc1ncncc1-c1ccccc1
InChI KeyRIQAUNNLIXGOAK-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
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine