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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:19:53 UTC
Update Date2025-03-24 20:01:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01105549
Frequency1.2
Structure
Chemical FormulaC4H3N5O
Molecular Mass137.0338
SMILESOc1nc2nc(n1)NC=N2
InChI KeyWBBHUUPTRGOAPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass aminotriazines
Direct Parent aminotriazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • formamidines
  • halo-s-triazines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • amino-1,3,5-triazine
  • azacycle
  • aminotriazine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • formamidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • halo-s-triazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,3,5-triazine
  • organic nitrogen compound
  • organooxygen compound