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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:54:36 UTC
Update Date2025-03-24 20:56:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01620570
Frequency0.8
Structure
Chemical FormulaC4H4N6
Molecular Mass136.0497
SMILESNc1nc2ncncn2n1
InChI KeyQKYSSAJWLLTKPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass 1,3,5-triazines
Direct Parent halo-s-triazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary amines
  • triazoles
    • Substituents
  • triazole
  • 1,2,4-triazole
  • azacycle
  • heteroaromatic compound
  • aromatic heteropolycyclic compound
  • halo-s-triazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • azole