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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:50 UTC
Update Date2025-03-25 00:46:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155462
Frequency0.5
Structure
Chemical FormulaC13H17N5
Molecular Mass243.1484
SMILESCc1cnc2ncnc(N3CCN(C)CC3)c2c1
InChI KeyXDYSIPXBOUGSKE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aminopyrimidines and derivatives
  • azacyclic compounds
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • methylpyridines
  • n-methylpiperazines
  • organopnictogen compounds
  • polyhalopyridines
  • pyrido[2,3-d]pyrimidines
  • trialkylamines
    • Substituents
  • polyhalopyridine
  • pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • imidolactam
  • tertiary amine
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • methylpyridine
  • aminopyrimidine
  • pyridine
  • pyrido[2,3-d]pyrimidine
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • n-arylpiperazine