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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:36 UTC
Update Date2025-03-25 00:53:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200347
Frequency0.5
Structure
Chemical FormulaC13H16N4
Molecular Mass228.1375
SMILESCc1ncc(CNc2ccccc2C)c(N)n1
InChI KeyGHIYFKZKAHPLDU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary alkylarylamines
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • imidolactam
  • toluene
  • organoheterocyclic compound