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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:19 UTC
Update Date2025-03-25 00:47:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160864
Frequency0.5
Structure
Chemical FormulaC3H4N4O
Molecular Mass112.0385
SMILESNc1ncc(O)nn1
InChI KeyFRDUPOJFMVDXFZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass 1,2,4-triazines
Direct Parent 1,2,4-triazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • 1,2,4-triazine
  • amine
  • organooxygen compound