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

C7H8N4OS — CID 135517158

IUPAC6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C7H8N4OS/c1-2-13-7-9-5-4(3-8-11-5)6(12)10-7/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyXSVYSYFDYHWDOF-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.76
Rot. Bonds2

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

6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135517158) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135517158
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C7H8N4OS/c1-2-13-7-9-5-4(3-8-11-5)6(12)10-7/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyXSVYSYFDYHWDOF-UHFFFAOYSA-N
XLogP0.76
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135517158) is 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CCSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XSVYSYFDYHWDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-2-13-7-9-5-4(3-8-11-5)6(12)10-7/h3H,2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 196.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135517158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).