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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:54:06 UTC
Update Date2025-03-25 01:13:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02325311
Frequency0.5
Structure
Chemical FormulaC4H5N5
Molecular Mass123.0545
SMILESNC1=c2[nH]c([nH]2)=NC=N1
InChI KeyDFIBFXXLXPLGJT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • aromatic heteropolycyclic compound
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • primary aliphatic amine
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound