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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:48 UTC
Update Date2025-03-25 00:58:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230514
Frequency0.5
Structure
Chemical FormulaC13H15FN4O3
Molecular Mass294.1128
SMILESCN1CCN(c2c(F)cc3c(=O)[nH]c(=O)[nH]c3c2O)CC1
InChI KeyMEDVYIYUAGXKPM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl fluorides
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • diazanaphthalenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • m-fluorophenols
  • n-methylpiperazines
  • organic carbonic acids and derivatives
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidones
  • quinazolinamines
  • trialkylamines
  • vinylogous amides
    • Substituents
  • aryl fluoride
  • lactam
  • pyrimidone
  • organohalogen compound
  • pyrimidine
  • organic oxide
  • diazanaphthalene
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • organofluoride
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3-fluorophenol
  • aryl halide
  • organic oxygen compound
  • quinazolinamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • amine
  • n-arylpiperazine
  • organooxygen compound