Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key SARCHYUZLAKKFI-UHFFFAOYSA-N
Smiles [H+].[Cl-].CCN(CC)CCCN=C(N)N=C(N)N
InChI
InChI=1S/C9H22N6/c1-3-15(4-2)7-5-6-13-9(12)14-8(10)11/h3-7H2,1-2H3,(H6,10,11,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H22N6
Molecular Weight 214.19
AlogP -0.27
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 101.02
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 94134-17-5
NORMAN SUSDAT