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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:21 UTC
Update Date2025-03-25 00:53:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199772
Frequency0.5
Structure
Chemical FormulaC9H9Cl2N3
Molecular Mass229.0174
SMILESClc1ccc(NC2=NCCN2)c(Cl)c1
InChI KeyOLHBOWPZHXCUNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imidazolines
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aryl chloride
  • aromatic heteromonocyclic compound
  • azacycle
  • guanidine
  • organochloride
  • organic 1,3-dipolar compound
  • carboximidamide
  • organohalogen compound
  • aryl halide
  • 1,3-dichlorobenzene
  • propargyl-type 1,3-dipolar organic compound
  • 2-imidazoline
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound