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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:09:37 UTC
Update Date2025-03-24 21:03:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01657090
Frequency0.8
Structure
Chemical FormulaC4H9N5
Molecular Mass127.0858
SMILESCn1c(N)nc(N)c1N
InChI KeyYHXSCOUQUFVRFF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent 1,2,4,5-tetrasubstituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • n-substituted imidazoles
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 1,2,4,5-tetrasubstituted imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • n-substituted imidazole