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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:44 UTC
Update Date2025-03-25 00:54:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207509
Frequency0.5
Structure
Chemical FormulaC9H15N5
Molecular Mass193.1327
SMILESNc1ccnc(NCC2CCCN2)n1
InChI KeyBIFSPJCOXJXHSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • pyrrolidines
    • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • pyrrolidine
  • imidolactam
  • organoheterocyclic compound