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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:28:55 UTC
Update Date2025-03-21 23:18:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00695624
Frequency2.2
Structure
Chemical FormulaC5H5N5
Molecular Mass135.0545
SMILESNc1ncc2nc1NC=N2
InChI KeyCEKXLEMPFKEKCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtriazines
Subclass 1,3,5-triazines
Direct Parent 1,3,5-triazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • formamidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrazines
    • Substituents
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • formamidine
  • aromatic heteropolycyclic compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,3,5-triazine
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine