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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:36:40 UTC
Update Date2025-03-24 13:59:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00714495
Frequency2.2
Structure
Chemical FormulaC4H4ClN3
Molecular Mass129.0094
SMILESNc1nccc(Cl)n1
InChI KeyDBGFGNCFYUNXLD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent halopyrimidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aryl chloride
  • aromatic heteromonocyclic compound
  • azacycle
  • organochloride
  • heteroaromatic compound
  • halopyrimidine
  • organohalogen compound
  • aryl halide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine