Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GNQ8KXF2PO
EPA CompTox DTXSID80184438

Structure

InChI Key ANCXQLFAWHZRLK-UHFFFAOYSA-N
Smiles CCNc1nc(NC(C)C)nc(NCC)n1
InChI
InChI=1S/C10H20N6/c1-5-11-8-14-9(12-6-2)16-10(15-8)13-7(3)4/h7H,5-6H2,1-4H3,(H3,11,12,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N6
Molecular Weight 224.17
AlogP -0.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 84.45
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 30360-19-1
NORMAN SUSDAT
FDA SRS GNQ8KXF2PO
PubChem 35078
ChemSpider 32290.0