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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:32:21 UTC
Update Date2025-03-24 13:57:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00703923
Frequency2.2
Structure
Chemical FormulaC7H8N2
Molecular Mass120.0687
SMILESc1cnc2c(c1)NCC2
InChI KeyJKWQHCSGMTWRIQ-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
  • organopnictogen compounds
  • pyridines and derivatives
  • secondary alkylarylamines
    • Substituents
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • amine