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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:35 UTC
Update Date2025-03-25 01:01:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248428
Frequency0.5
Structure
Chemical FormulaC10H12N4
Molecular Mass188.1062
SMILESCn1cncc1CNc1ccccn1
InChI KeyYUZYSQFRQUGDRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • methylpyridines
  • n-substituted imidazoles
  • organopnictogen compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • secondary aliphatic/aromatic amine
  • pyridine
  • imidazole
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole