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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:48:02 UTC
Update Date2025-03-24 21:21:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01749561
Frequency0.7
Structure
Chemical FormulaC4H6N4O
Molecular Mass126.0542
SMILESN=C(N)N1N=CCC1=O
InChI KeyGRUAFWHYVLALOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass pyrazolines
Direct Parent pyrazolones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • azacycle
  • guanidine
  • imine
  • carboximidamide
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • pyrazolinone