Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8Q68893703
EPA CompTox DTXSID1042445

Structure

InChI Key BCQMBFHBDZVHKU-UHFFFAOYSA-N
Smiles c1(nc(nc(n1)OC)NCC)NC(C)(C)C
InChI
InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N5O1
Molecular Weight 225.16
AlogP 0.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 75.19
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 33693-04-8
NORMAN SUSDAT
FDA SRS 8Q68893703
PubChem 36584
ChemSpider 33617.0