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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:22 UTC
Update Date2025-03-21 18:36:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108816
Frequency24.6
Structure
Chemical FormulaC5H5N7
Molecular Mass163.0606
SMILESNc1nc(N)c2ncnnc2n1
InChI KeyACMYQAYEINJXQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass 1,2,4-triazines
Direct Parent 1,2,4-triazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
    • Substituents
  • azacycle
  • heteroaromatic compound
  • pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • 1,2,4-triazine
  • amine