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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:30 UTC
Update Date2025-03-25 00:45:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149948
Frequency0.5
Structure
Chemical FormulaC6H6N4
Molecular Mass134.0592
SMILESN=C1NC2=NC1=CC=CN2
InChI KeyYBXKFRZNXJXUDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepines
Subclass 1,3-diazepines
Direct Parent 1,3-diazepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imidazolines
  • imidolactams
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • meta-diazepine
  • azacycle
  • guanidine
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • 2-imidazoline
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam