Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:31:08 UTC
Update Date2025-03-24 21:13:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01708759
Frequency0.7
Structure
Chemical FormulaC5H6N4O
Molecular Mass138.0542
SMILESCc1ncc(N=O)c(N)n1
InChI KeyWYRGMNSGNWREGR-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
  • c-nitroso compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • organic nitroso compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine