3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine

C19H19N3S — CID 56678749

IUPAC3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine
SMILESCc1cc(C)c(CSc2ccc(-c3ccccn3)nn2)c(C)c1
InChIInChI=1S/C19H19N3S/c1-13-10-14(2)16(15(3)11-13)12-23-19-8-7-18(21-22-19)17-6-4-5-9-20-17/h4-11H,12H2,1-3H3
InChIKeyXWCDXKATHZTOQA-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.76
Rot. Bonds4

About 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine

3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine (PubChem CID 56678749) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine
PubChem CID56678749
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine
SMILESCc1cc(C)c(CSc2ccc(-c3ccccn3)nn2)c(C)c1
InChIInChI=1S/C19H19N3S/c1-13-10-14(2)16(15(3)11-13)12-23-19-8-7-18(21-22-19)17-6-4-5-9-20-17/h4-11H,12H2,1-3H3
InChIKeyXWCDXKATHZTOQA-UHFFFAOYSA-N
XLogP4.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 122542944
3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 7207331
3-[(2,6-difluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56661662
3-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 122542941
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine
CID 177463248
3-(3,4-dimethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 43937021
ethane;3-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridazine
CID 143616936
propane;2-pyridin-2-ylpyridine
CID 158168510
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
4-methyl-2-pyridin-2-ylpyridine
CID 11019291

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine (CID 56678749) is 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine is Cc1cc(C)c(CSc2ccc(-c3ccccn3)nn2)c(C)c1.
What is the InChIKey of 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine?
The InChIKey is XWCDXKATHZTOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-13-10-14(2)16(15(3)11-13)12-23-19-8-7-18(21-22-19)17-6-4-5-9-20-17/h4-11H,12H2,1-3H3.
What are the key properties of 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine?
3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine has a molecular weight of 321.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 56678749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).