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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:26:16 UTC
Update Date2025-03-24 14:19:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00833833
Frequency1.8
Structure
Chemical FormulaC6H6N4
Molecular Mass134.0592
SMILESNc1ncnn2cccc12
InChI KeyVSPXQZSDPSOPRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolotriazines
Subclass pyrrolo[2,1-f][1,2,4]triazines
Direct Parent pyrrolo[2,1-f][1,2,4]triazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2,4-triazines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrroles
    • Substituents
  • azacycle
  • heteroaromatic compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • triazine
  • pyrrolo[2,1-f][1,2,4]triazine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • 1,2,4-triazine
  • amine