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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:43:38 UTC
Update Date2025-03-24 14:01:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00731313
Frequency2.1
Structure
Chemical FormulaC4H5N3O
Molecular Mass111.0433
SMILESNc1c[n+]([O-])ccn1
InChI KeyRNJSCNQGWWUIOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrazines
Direct Parent pyrazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine