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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:00 UTC
Update Date2025-03-25 00:49:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171594
Frequency0.5
Structure
Chemical FormulaC12H13N3O
Molecular Mass215.1059
SMILESCN1C(=O)CCC1c1c[nH]c2ccncc12
InChI KeyJNMOKRWMZFRPSH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyridines
Subclass pyrrolopyridines
Direct Parent pyrrolopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • methylpyridines
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyrroles
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • pyrrolopyridine
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • pyridine
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound