Structure

InChI Key UXNFIJPHRQEWRQ-UHFFFAOYSA-N
Smile C1N2CN3CN1CN(C2)C3.O=C(O)C(O)c1ccccc1
InChI
InChI=1S/C8H8O3.C6H12N4/c9-7(8(10)11)6-4-2-1-3-5-6;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5,7,9H,(H,10,11);1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20N4O3
Molecular Weight 292.34
AlogP -1.02
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 12.96
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3833312
FDA SRS 695N30CINR
PubChem 11478
SureChEMBL SCHEMBL3645