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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:45:19 UTC
Update Date2025-03-24 14:02:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00735406
Frequency2.1
Structure
Chemical FormulaC5H6N4
Molecular Mass122.0592
SMILESC1=Nc2nc[nH]c2NC1
InChI KeyOLXOHFJQLKFMRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • imine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary aliphatic/aromatic amine
  • propargyl-type 1,3-dipolar organic compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • azole