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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:58:59 UTC
Update Date2025-03-24 21:25:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01775142
Frequency0.7
Structure
Chemical FormulaC4H6N6
Molecular Mass138.0654
SMILESN=Nc1ncnc(N)c1N
InChI KeyBSTAHCQNDLFFEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine