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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:09 UTC
Update Date2025-03-25 01:00:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242750
Frequency0.5
Structure
Chemical FormulaC11H13N3O
Molecular Mass203.1059
SMILESCC(=O)C1CNc2ccccc2C(N)=N1
InChI KeyATRSSBMIJCMKJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodiazepines
Subclass 1,4-benzodiazepines
Direct Parent 1,4-benzodiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzenoids
  • carboximidamides
  • hydrocarbon derivatives
  • imidolactams
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • secondary amine
  • secondary aliphatic/aromatic amine
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • 1,4-benzodiazepine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound