6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C8H10N4OS — CID 135541106

IUPAC6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C8H10N4OS/c1-4(2)14-8-10-6-5(3-9-12-6)7(13)11-8/h3-4H,1-2H3,(H2,9,10,11,12,13)
InChIKeyLJAAZDZVACHSBZ-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.15
Rot. Bonds2

About 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135541106) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135541106
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C8H10N4OS/c1-4(2)14-8-10-6-5(3-9-12-6)7(13)11-8/h3-4H,1-2H3,(H2,9,10,11,12,13)
InChIKeyLJAAZDZVACHSBZ-UHFFFAOYSA-N
XLogP1.15
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135541106) is 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CC(C)Sc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LJAAZDZVACHSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-4(2)14-8-10-6-5(3-9-12-6)7(13)11-8/h3-4H,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 210.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135541106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).