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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:50 UTC
Update Date2025-03-25 00:45:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150767
Frequency0.5
Structure
Chemical FormulaC13H15N3O2
Molecular Mass245.1164
SMILESCN1CCN(c2nc3ccccc3oc2=O)CC1
InChI KeyOYZAPSKSXMTTTN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactones
  • n-methylpiperazines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
    • Substituents
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • imidolactam
  • tertiary amine
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound