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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:30 UTC
Update Date2025-03-25 00:56:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218677
Frequency0.5
Structure
Chemical FormulaC9H11N3
Molecular Mass161.0953
SMILESCc1ccc(C2=NCCN2)cn1
InChI KeyCGMFMTLXQFPDHC-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
  • amidines
  • azacyclic compounds
  • carboximidamides
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazolines
  • imidolactams
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyridines and derivatives
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • 2-imidazoline
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • imidolactam