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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:06:56 UTC
Update Date2025-03-21 19:04:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00220370
Frequency9.9
Structure
Chemical FormulaC4H7N3O
Molecular Mass113.0589
SMILESCC1=NCNC(=O)N1
InChI KeyCEJWSRKAEHGUBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass triazinones
Direct Parent triazinones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3,5-triazines
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,3,5-triazine
  • organic nitrogen compound
  • triazinone
  • organooxygen compound