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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:48 UTC
Update Date2025-03-21 18:32:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00092715
Frequency30.2
Structure
Chemical FormulaC9H13N3
Molecular Mass163.1109
SMILESCN1CCCC1c1ccnnc1
InChI KeyZNKSLZAWYOVUPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent aralkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • pyridazines and derivatives
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • aralkylamine
  • pyridazine
  • organopnictogen compound
  • hydrocarbon derivative
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound