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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:04:54 UTC
Update Date2025-03-24 16:38:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00926272
Frequency1.6
Structure
Chemical FormulaC5H7N3O2
Molecular Mass141.0538
SMILESNC(=O)C1=NCNC(=O)C1
InChI KeySKDYBDJDFUKFTO-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
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydropyrimidines
  • ketimines
  • lactams
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • primary carboxylic acid amide
  • ketimine
  • carbonyl group
  • lactam
  • imine
  • pyrimidone
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • 1,2,5,6-tetrahydropyrimidine
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound