Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OKS0I0BBLP

Structure

InChI Key OYKONKGGKFFMDV-UHFFFAOYSA-N
Smiles COc1nc2nc(cn2c3CCCCc13)c4noc(C)n4
InChI
InChI=1S/C14H15N5O2/c1-8-15-12(18-21-8)10-7-19-11-6-4-3-5-9(11)13(20-2)17-14(19)16-10/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15N5O2
Molecular Weight 285.12
AlogP 1.98
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 2.0
Polar Surface Area 78.34
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 106073-01-2
NORMAN SUSDAT
FDA SRS OKS0I0BBLP