Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:45:25 UTC
Update Date2025-03-25 01:33:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02444935
Frequency0.5
Structure
Chemical FormulaC6H9N3
Molecular Mass123.0796
SMILESc1cn2c(n1)CNCC2
InChI KeySWBUHQQTIPEPMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • n-substituted imidazole