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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:14:39 UTC
Update Date2025-03-25 01:46:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02513336
Frequency0.5
Structure
Chemical FormulaC5H4N4O
Molecular Mass136.0385
SMILESO=c1cc2nc([nH]1)N=CN2
InChI KeySDJPHFZQTDPUOJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3,5-triazines
  • azacyclic compounds
  • formamidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • lactam
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • formamidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • triazine
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,3,5-triazine
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound