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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:32 UTC
Update Date2025-03-21 18:37:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116473
Frequency22.5
Structure
Chemical FormulaC11H15N3O2
Molecular Mass221.1164
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChI KeyGZNDUKANJZIZOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aniline and substituted anilines
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-arylpiperazines
  • n-methylpiperazines
  • nitroaromatic compounds
  • nitrobenzenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • dialkylarylamine
  • tertiary amine
  • nitrobenzene
  • nitroaromatic compound
  • azacycle
  • aniline or substituted anilines
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • organic 1,3-dipolar compound
  • phenylpiperazine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organic hyponitrite