Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:57:40 UTC
Update Date2025-03-25 01:39:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02473580
Frequency0.5
Structure
Chemical FormulaC6H9N3
Molecular Mass123.0796
SMILESc1ncn2c1NCCC2
InChI KeyJEBPRVPOQZCQSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organopnictogen compounds
  • Substituents
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole