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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:14:31 UTC
Update Date2025-03-21 23:11:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00661450
Frequency2.4
Structure
Chemical FormulaC5H8N4O
Molecular Mass140.0698
SMILESCCC(=O)Nc1nc[nH]n1
InChI KeyYZDOTVLVWXHISA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-arylamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • triazoles
    • Substituents
  • triazole
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1,2,4-triazole
  • azacycle
  • heteroaromatic compound
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • azole