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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:40:02 UTC
Update Date2025-03-21 18:48:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00157374
Frequency15.3
Structure
Chemical FormulaC5H4N4O
Molecular Mass136.0385
SMILESNC1=NC(=O)C2=CNC2=N1
InChI KeyKSTDYHURRBIAOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydropyrimidines
  • imidolactams
  • n-acylimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • vinylogous amides
    • Substituents
  • n-acylimine
  • vinylogous amide
  • carbonyl group
  • azacycle
  • 5,6-dihydropyrimidine
  • pyrimidone
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound