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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:08 UTC
Update Date2025-03-25 01:00:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245083
Frequency0.5
Structure
Chemical FormulaC13H17N3
Molecular Mass215.1422
SMILESCN1CCCC1c1cn(C)c2ccncc12
InChI KeyCZYRVRYQFWUJLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyridines
Subclass pyrrolopyridines
Direct Parent pyrrolopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • n-methylpyrroles
  • organopnictogen compounds
  • polyhalopyridines
  • substituted pyrroles
  • trialkylamines
  • Substituents
  • n-methylpyrrole
  • azacycle
  • pyrrolopyridine
  • n-alkylpyrrolidine
  • polyhalopyridine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • substituted pyrrole
  • aralkylamine
  • pyridine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine