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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:22 UTC
Update Date2025-03-25 00:54:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204373
Frequency0.5
Structure
Chemical FormulaC8H9N3
Molecular Mass147.0796
SMILESC1=NCC(c2ccccn2)N1
InChI KeyDVTIFPBGIRNIFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent 2-halopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboximidamides
  • formamidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazolines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyridines and derivatives
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • formamidine
  • 2-imidazoline
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound