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

C8H10N4OS — CID 135517169

IUPAC6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C8H10N4OS/c1-2-3-14-8-10-6-5(4-9-12-6)7(13)11-8/h4H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyCNXWMVZWQIUZRK-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.15
Rot. Bonds3

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

6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135517169) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135517169
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C8H10N4OS/c1-2-3-14-8-10-6-5(4-9-12-6)7(13)11-8/h4H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyCNXWMVZWQIUZRK-UHFFFAOYSA-N
XLogP1.15
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135517169) is 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CCCSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CNXWMVZWQIUZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-2-3-14-8-10-6-5(4-9-12-6)7(13)11-8/h4H,2-3H2,1H3,(H2,9,10,11,12,13).
What are the key properties of 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 210.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135517169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).