1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one

C18H16N2OS — CID 142673824

IUPAC1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one
SMILESCSc1ccc(-c2cc(=O)cnn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16N2OS/c1-13-3-7-15(8-4-13)20-18(11-16(21)12-19-20)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3
InChIKeyNDXXQKXTTOLACK-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.93
Rot. Bonds3

About 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one

1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one (PubChem CID 142673824) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one
PubChem CID142673824
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one
SMILESCSc1ccc(-c2cc(=O)cnn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16N2OS/c1-13-3-7-15(8-4-13)20-18(11-16(21)12-19-20)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3
InChIKeyNDXXQKXTTOLACK-UHFFFAOYSA-N
XLogP3.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-diphenylpyridazin-4-one
CID 2311475
6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione
CID 10193344
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one
CID 142673833
3-methyl-1,5-bis(4-methylphenyl)pyrazole
CID 59881727
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
CID 10830058
3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
CID 10781681
methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate
CID 22014681
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
CID 144652032
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 23174225
5-chloro-4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)pyridazin-3-one
CID 1480827

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one?
The IUPAC name of 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one (CID 142673824) is 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one.
What is the SMILES notation for 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one?
The canonical SMILES for 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one is CSc1ccc(-c2cc(=O)cnn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one?
The InChIKey is NDXXQKXTTOLACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-3-7-15(8-4-13)20-18(11-16(21)12-19-20)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3.
What are the key properties of 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one?
1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one has a molecular weight of 308.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one is sourced from PubChem (CID 142673824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).