Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C9H909GLI3

Structure

InChI Key SCBFBAWJWLXVHS-ZCFIWIBFSA-N
Smiles NC1=NC(=O)c2ncn(C[C@H](CO)CCO)c2N1
InChI
InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)3-6(4-17)1-2-16/h5-6,16-17H,1-4H2,(H3,11,13,14,18)/t6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N5O3
Molecular Weight 253.12
AlogP -1.06
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 131.04
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 124265-89-0
NORMAN SUSDAT
FDA SRS C9H909GLI3