Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:17:22 UTC
Update Date2025-03-24 20:41:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01531886
Frequency0.8
Structure
Chemical FormulaC6H12N4
Molecular Mass140.1062
SMILESN=C(N)N1CC2CNC2C1
InChI KeyHBEWCPMRSBDZIS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,4-diazepanes
Direct Parent 1,4-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • carboximidamides
  • dialkylamines
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • 1,4-diazepane
  • azacycle
  • guanidine
  • imine
  • carboximidamide
  • secondary amine
  • azetidine
  • aliphatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine