Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:22 UTC
Update Date2025-03-21 18:38:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120844
Frequency31.7
Structure
Chemical FormulaC5H8N4O
Molecular Mass140.0698
SMILESCNc1nc(=O)cc(N)[nH]1
InChI KeyJFQJCNWEJFWWHQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound