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

C15H10N4OS — CID 135468414

IUPAC5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cn[nH]c2[nH]c(=S)n1-c1cccc2ccccc12
InChIInChI=1S/C15H10N4OS/c20-14-11-8-16-18-13(11)17-15(21)19(14)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,17,18,21)
InChIKeyOAKCXVCPYVGGCC-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.92
Rot. Bonds1

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

5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135468414) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135468414
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cn[nH]c2[nH]c(=S)n1-c1cccc2ccccc12
InChIInChI=1S/C15H10N4OS/c20-14-11-8-16-18-13(11)17-15(21)19(14)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,17,18,21)
InChIKeyOAKCXVCPYVGGCC-UHFFFAOYSA-N
XLogP2.92
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135468414) is 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cn[nH]c2[nH]c(=S)n1-c1cccc2ccccc12.
What is the InChIKey of 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OAKCXVCPYVGGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c20-14-11-8-16-18-13(11)17-15(21)19(14)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,17,18,21).
What are the key properties of 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one?
5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 294.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135468414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).