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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:41 UTC
Update Date2025-03-25 00:59:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239348
Frequency0.5
Structure
Chemical FormulaC12H13N3O
Molecular Mass215.1059
SMILESCn1cc(C2CCC(=O)N2)c2cccnc21
InChI KeyUFCPROYHZYAIJT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyridines
Subclass pyrrolopyridines
Direct Parent pyrrolopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • methylpyridines
  • n-methylpyrroles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • substituted pyrroles
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • n-methylpyrrole
  • lactam
  • polyhalopyridine
  • substituted pyrrole
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • pyrrolopyridine
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound