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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:00 UTC
Update Date2025-03-25 00:52:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194331
Frequency0.5
Structure
Chemical FormulaC9H12N6
Molecular Mass204.1123
SMILESCN1C(N)=NC(N)=NC1c1cccnc1
InChI KeyVESXOFHHCPSRFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3,5-triazines
  • azacyclic compounds
  • carboximidamides
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • guanidine
  • imine
  • heteroaromatic compound
  • methylpyridine
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • triazine
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,3,5-triazine
  • organic nitrogen compound