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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:38:49 UTC
Update Date2025-03-24 22:09:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02011810
Frequency0.6
Structure
Chemical FormulaC5H6N4O
Molecular Mass138.0542
SMILESCn1ncc(N=C=O)c1N
InChI KeyFHPYVYYOAVTSEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent pyrazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocyanates
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • isocyanate
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • pyrazole
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound