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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:03 UTC
Update Date2025-03-25 00:45:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151244
Frequency0.5
Structure
Chemical FormulaC13H15N3
Molecular Mass213.1266
SMILESCc1ncc(Cc2ccccc2)c(N)c1N
InChI KeyARCINDWXVQHGHZ-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
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary amines
  • pyridines and derivatives
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • amine