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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:37 UTC
Update Date2025-03-25 00:48:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168447
Frequency0.5
Structure
Chemical FormulaC13H17N3O
Molecular Mass231.1372
SMILESCC(C)C1=NC(Cc2ccccc2)NC(=O)N1
InChI KeyNQMMBAXHIPAUPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass triazinones
Direct Parent triazinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3,5-triazines
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboximidamides
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,3,5-triazine
  • benzenoid
  • organic nitrogen compound
  • triazinone
  • organooxygen compound