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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:48:23 UTC
Update Date2025-03-21 22:57:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00600466
Frequency2.7
Structure
Chemical FormulaC7H10N2
Molecular Mass122.0844
SMILESCNc1cccc(C)n1
InChI KeyPFVYSURSVXECJA-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
  • organopnictogen compounds
  • secondary alkylarylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • imidolactam
  • amine