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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:12:34 UTC
Update Date2025-03-24 21:31:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01807414
Frequency0.7
Structure
Chemical FormulaC4H5N5
Molecular Mass123.0545
SMILESc1nc2c([nH]1)NCN=N2
InChI KeyYMIPHTMEZYJVEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2,4-triazines
  • azacyclic compounds
  • azo compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • azo compound
  • secondary aliphatic/aromatic amine
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • triazine
  • hydrocarbon derivative
  • 1,2,4-triazine
  • organoheterocyclic compound
  • azole