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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:21:07 UTC
Update Date2025-03-25 00:39:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02112114
Frequency0.6
Structure
Chemical FormulaC4H9N5
Molecular Mass127.0858
SMILESCNc1nc(N)[nH]c1N
InChI KeyLWPKWMSXFABMNS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent 2,4,5-trisubstituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • secondary alkylarylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • 2,4,5-trisubstituted-imidazole
  • secondary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine