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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:49 UTC
Update Date2025-03-25 00:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178127
Frequency0.5
Structure
Chemical FormulaC11H17N3
Molecular Mass191.1422
SMILESCNc1ncccc1C1CCCN1C
InChI KeyPDEGTELWSREIME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkaloids and derivatives
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • methylpyridines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alkylarylamines
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • pyrrolidinylpyridine
  • polyhalopyridine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • secondary amine
  • aralkylamine
  • secondary aliphatic/aromatic amine
  • alkaloid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • pyrrolidine
  • imidolactam
  • amine
  • tertiary amine