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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:19:21 UTC
Update Date2025-03-24 20:16:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01393448
Frequency0.9
Structure
Chemical FormulaC8H12N2
Molecular Mass136.1
SMILESCC(C)c1ncccc1N
InChI KeyBDGIMZHZSHEPSR-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
  • methylpyridines
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • amine