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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:54 UTC
Update Date2025-03-25 00:50:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178338
Frequency0.5
Structure
Chemical FormulaC8H16N4
Molecular Mass168.1375
SMILESCn1c(CCN)cnc1CCN
InChI KeyYYQGTJATFNGOAN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent 1,2,5-trisubstituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkylamines
  • n-substituted imidazoles
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 1,2,5-trisubstituted-imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • n-substituted imidazole