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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:37:40 UTC
Update Date2025-03-24 13:59:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00716956
Frequency2.2
Structure
Chemical FormulaC5H6N4O
Molecular Mass138.0542
SMILESNc1[nH]c(=O)c2c[nH][nH]c1-2
InChI KeyGQDTWNXADYFJPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrazoles
Subclass pyrrolopyrazoles
Direct Parent pyrrolopyrazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrazoles
  • pyrroles
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • lactam
  • azacycle
  • heteroaromatic compound
  • pyrrolopyrazole
  • pyrazole
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • azole