5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one

C11H8N4OS — CID 135412360

IUPAC5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C11H8N4OS/c16-10-8-6-12-14-9(8)13-11(17)15(10)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,17)
InChIKeyPLUVWHRAFOQZME-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.77
Rot. Bonds1

About 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one

5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135412360) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135412360
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C11H8N4OS/c16-10-8-6-12-14-9(8)13-11(17)15(10)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,17)
InChIKeyPLUVWHRAFOQZME-UHFFFAOYSA-N
XLogP1.77
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-6-sulfanyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135521054
6-mercapto-5-(4-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412362
5-(2-fluorophenyl)-6-thioxo-1,5,6,7-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135468410
5-Naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135468414
5-(2-chlorophenyl)-6-mercapto-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135433193
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-phenyl-
CID 3072256
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(4-fluorophenyl)-
CID 3072261
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)-
CID 3072262
6-(methylsulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 848938
5-(3-Chlorophenyl)-6-sulfanyl-2H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 135437379
5-amino-N-phenyl-1H-pyrazole-4-carboxamide
CID 671570
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-(phenylamino)-
CID 3072246

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135412360) is 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PLUVWHRAFOQZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c16-10-8-6-12-14-9(8)13-11(17)15(10)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,17).
What are the key properties of 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 244.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135412360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).