6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one

C17H19N3O3S — CID 51044367

IUPAC6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCSCC3)n2)cc1
InChIInChI=1S/C17H19N3O3S/c1-23-14-4-2-13(3-5-14)15-6-7-16(21)20(18-15)12-17(22)19-8-10-24-11-9-19/h2-7H,8-12H2,1H3
InChIKeyIKYDPVIMFQBMLD-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.49
Rot. Bonds4

About 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one

6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one (PubChem CID 51044367) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
PubChem CID51044367
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCSCC3)n2)cc1
InChIInChI=1S/C17H19N3O3S/c1-23-14-4-2-13(3-5-14)15-6-7-16(21)20(18-15)12-17(22)19-8-10-24-11-9-19/h2-7H,8-12H2,1H3
InChIKeyIKYDPVIMFQBMLD-UHFFFAOYSA-N
XLogP1.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52898063
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 121050347
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052740
6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51049092
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 52899075
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121050965
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7666598
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one (CID 51044367) is 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CC(=O)N3CCSCC3)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The InChIKey is IKYDPVIMFQBMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-23-14-4-2-13(3-5-14)15-6-7-16(21)20(18-15)12-17(22)19-8-10-24-11-9-19/h2-7H,8-12H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one has a molecular weight of 345.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one is sourced from PubChem (CID 51044367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).