5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one

C14H14N2O3S — CID 10379463

IUPAC5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one
SMILESCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1S(C)=O
InChIInChI=1S/C14H14N2O3S/c1-9(17)11-12(10-7-5-4-6-8-10)15-16(2)14(18)13(11)20(3)19/h4-8H,1-3H3
InChIKeyUUWOQYPRRZSZPV-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.39
Rot. Bonds3

About 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one

5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one (PubChem CID 10379463) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one
PubChem CID10379463
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one
SMILESCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1S(C)=O
InChIInChI=1S/C14H14N2O3S/c1-9(17)11-12(10-7-5-4-6-8-10)15-16(2)14(18)13(11)20(3)19/h4-8H,1-3H3
InChIKeyUUWOQYPRRZSZPV-UHFFFAOYSA-N
XLogP1.39
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one
CID 54677994
1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 20814936
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide
CID 3758412
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
5-acetyl-2-ethyl-4-[(6-oxo-1H-pyridin-2-yl)amino]-6-phenylpyridazin-3-one
CID 68896107
(1-methyl-6-oxo-3-phenylpyridazin-4-yl) acetate
CID 110272835
5-hydroxy-2-methyl-6-phenylpyridazin-3-one
CID 54705880
N-(4-iodo-1-methyl-3-phenylpyrazol-5-yl)acetamide
CID 86717324

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one (CID 10379463) is 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one is CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1S(C)=O.
What is the InChIKey of 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one?
The InChIKey is UUWOQYPRRZSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9(17)11-12(10-7-5-4-6-8-10)15-16(2)14(18)13(11)20(3)19/h4-8H,1-3H3.
What are the key properties of 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one?
5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one has a molecular weight of 290.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methyl-4-methylsulfinyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 10379463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).