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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:57 UTC
Update Date2025-03-25 00:46:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155723
Frequency0.5
Structure
Chemical FormulaC13H16N3+
Molecular Mass214.1339
SMILESCc1ccc[n+](Cc2cccnc2N)c1C
InChI KeyNUPKYYFOWKWDSS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • methylpyridines
  • organic cations
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • imidolactam
  • amine