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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:48:08 UTC
Update Date2025-03-25 01:11:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02311510
Frequency0.5
Structure
Chemical FormulaC7H9N3
Molecular Mass135.0796
SMILESc1cn(C2=NCCC2)cn1
InChI KeyXMZDTLSGMNLPEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • n-substituted imidazole