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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:44:44 UTC
Update Date2025-03-24 14:02:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00733995
Frequency2.1
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESCOc1ccnc(CN)c1
InChI KeySGKAHGGNLZRWQM-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
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • alkyl aryl ether
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound