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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:20:15 UTC
Update Date2025-03-24 20:42:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01538877
Frequency0.8
Structure
Chemical FormulaC6H11N3O
Molecular Mass141.0902
SMILESCNc1cn(C)c(=O)n1C
InChI KeyCEJSSIGXCONPNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • ureas
    • Substituents
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • urea
  • organic oxide
  • organic oxygen compound
  • imidazole
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • azole
  • n-substituted imidazole