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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:36 UTC
Update Date2025-03-25 00:53:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200366
Frequency0.5
Structure
Chemical FormulaC12H19N3O
Molecular Mass221.1528
SMILESCc1nccc(CN2CCN(C)CC2)c1O
InChI KeyRHYGJDRUGNSQHQ-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
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-methylpiperazines
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • n-methylpiperazine
  • methylpyridine
  • aralkylamine
  • organic oxygen compound
  • piperazine
  • 1,4-diazinane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound