6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C6H6N4OS — CID 135483440

IUPAC6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C6H6N4OS/c1-12-6-8-4-3(2-7-10-4)5(11)9-6/h2H,1H3,(H2,7,8,9,10,11)
InChIKeyPDEMJBQWVFOIGO-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.37
Rot. Bonds1

About 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135483440) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135483440
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C6H6N4OS/c1-12-6-8-4-3(2-7-10-4)5(11)9-6/h2H,1H3,(H2,7,8,9,10,11)
InChIKeyPDEMJBQWVFOIGO-UHFFFAOYSA-N
XLogP0.37
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135483440) is 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PDEMJBQWVFOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-12-6-8-4-3(2-7-10-4)5(11)9-6/h2H,1H3,(H2,7,8,9,10,11).
What are the key properties of 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 182.21 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135483440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).