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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:58:55 UTC
Update Date2025-03-21 18:54:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00201717
Frequency11.1
Structure
Chemical FormulaC8H8N2
Molecular Mass132.0687
SMILESC1=NCc2ccccc2N1
InChI KeyLGACUMPRRMLUFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • diazanaphthalenes
  • formamidines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • formamidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline