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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:04:09 UTC
Update Date2025-03-25 01:41:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02488880
Frequency0.5
Structure
Chemical FormulaC6H9N3O
Molecular Mass139.0746
SMILESCc1c(NC=O)ncn1C
InChI KeyYJGDKZYIKOYXFK-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
  • imidazoles
  • imidolactams
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • imidazole
  • organopnictogen compound
  • hydrocarbon derivative
  • imidolactam
  • organoheterocyclic compound
  • organooxygen compound
  • azole
  • n-substituted imidazole