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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:45 UTC
Update Date2025-03-25 01:00:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241859
Frequency0.5
Structure
Chemical FormulaC9H11N3O
Molecular Mass177.0902
SMILESCC(O)C1=Nc2cccnc2NC1
InChI KeyVNVWRCKCTZJAIH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • ketimines
  • methylpyridines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • ketimine
  • imine
  • polyhalopyridine
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine