3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile

C10H11N5OS — CID 75372185

IUPAC3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile
SMILESCSc1nn(C)c2ncn(CCC#N)c(=O)c12
InChIInChI=1S/C10H11N5OS/c1-14-8-7(9(13-14)17-2)10(16)15(6-12-8)5-3-4-11/h6H,3,5H2,1-2H3
InChIKeyZXGOQWPZLJGXDL-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.77
Rot. Bonds3

About 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile

3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile (PubChem CID 75372185) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile.

Molecular Properties

Compound Name3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile
PubChem CID75372185
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile
SMILESCSc1nn(C)c2ncn(CCC#N)c(=O)c12
InChIInChI=1S/C10H11N5OS/c1-14-8-7(9(13-14)17-2)10(16)15(6-12-8)5-3-4-11/h6H,3,5H2,1-2H3
InChIKeyZXGOQWPZLJGXDL-UHFFFAOYSA-N
XLogP0.77
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile?
The IUPAC name of 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile (CID 75372185) is 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile.
What is the SMILES notation for 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile?
The canonical SMILES for 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile is CSc1nn(C)c2ncn(CCC#N)c(=O)c12.
What is the InChIKey of 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile?
The InChIKey is ZXGOQWPZLJGXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-14-8-7(9(13-14)17-2)10(16)15(6-12-8)5-3-4-11/h6H,3,5H2,1-2H3.
What are the key properties of 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile?
3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile has a molecular weight of 249.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile is sourced from PubChem (CID 75372185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).