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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:18 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204207
Frequency0.5
Structure
Chemical FormulaC6H7N3S
Molecular Mass153.0361
SMILESS=C=NCCc1cn[nH]c1
InChI KeyXSXZNONQBUJWEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent pyrazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isothiocyanates
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • isothiocyanate
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organosulfur compound
  • pyrazole
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound