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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:26:10 UTC
Update Date2025-03-24 21:38:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01839380
Frequency0.7
Structure
Chemical FormulaC4H8N4O
Molecular Mass128.0698
SMILESNC1=NC(=O)NCC1N
InChI KeyUTGABHQDQWLMGG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • hydrocarbon derivatives
  • hydropyrimidines
  • monoalkylamines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • pyrimidone
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,2,5,6-tetrahydropyrimidine
  • organooxygen compound