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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:37 UTC
Update Date2025-03-21 18:28:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073243
Frequency40.7
Structure
Chemical FormulaC9H10N2
Molecular Mass146.0844
SMILESC1=NC(c2cccnc2)CC1
InChI KeyGXTVPHUMJMZDSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridines and derivatives
Direct Parent pyridines and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • imine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • pyridine
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound