3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

C17H15N3S — CID 7207331

IUPAC3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESCc1ccc(CSc2ccc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C17H15N3S/c1-13-5-7-14(8-6-13)12-21-17-10-9-16(19-20-17)15-4-2-3-11-18-15/h2-11H,12H2,1H3
InChIKeyQCEUCVIUQBRVHG-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.14
Rot. Bonds4

About 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 7207331) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID7207331
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESCc1ccc(CSc2ccc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C17H15N3S/c1-13-5-7-14(8-6-13)12-21-17-10-9-16(19-20-17)15-4-2-3-11-18-15/h2-11H,12H2,1H3
InChIKeyQCEUCVIUQBRVHG-UHFFFAOYSA-N
XLogP4.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine
CID 56678749
3-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 122542941
3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 122542944
3-[(2,6-difluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56661662
2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine
CID 39529079
4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine
CID 95921622
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 7206130
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
CID 7205692
3-[(2,5-dimethylphenyl)methylsulfanyl]-6-(4-ethylphenyl)pyridazine
CID 43936932
3-(2,4-dimethylphenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 43936965
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (CID 7207331) is 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is Cc1ccc(CSc2ccc(-c3ccccn3)nn2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is QCEUCVIUQBRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-13-5-7-14(8-6-13)12-21-17-10-9-16(19-20-17)15-4-2-3-11-18-15/h2-11H,12H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine has a molecular weight of 293.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 7207331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).