3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine

C30H28N6S2 — CID 177463248

IUPAC3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine
SMILESCCCSc1cc(-c2ccccn2)nc(-c2ccc(-c3cc(SCCC)cc(-c4ccccn4)n3)nn2)c1
InChIInChI=1S/C30H28N6S2/c1-3-15-37-21-17-27(23-9-5-7-13-31-23)33-29(19-21)25-11-12-26(36-35-25)30-20-22(38-16-4-2)18-28(34-30)24-10-6-8-14-32-24/h5-14,17-20H,3-4,15-16H2,1-2H3
InChIKeyGADRICUUOHCIPW-UHFFFAOYSA-N
MW536.73 g/mol
LogP7.73
Rot. Bonds10

About 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine

3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine (PubChem CID 177463248) has the molecular formula C30H28N6S2 and a molecular weight of 536.73 g/mol. Its IUPAC name is 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine.

Molecular Properties

Compound Name3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine
PubChem CID177463248
Molecular FormulaC30H28N6S2
Molecular Weight536.73 g/mol
Exact Mass536.18
IUPAC Name3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine
SMILESCCCSc1cc(-c2ccccn2)nc(-c2ccc(-c3cc(SCCC)cc(-c4ccccn4)n3)nn2)c1
InChIInChI=1S/C30H28N6S2/c1-3-15-37-21-17-27(23-9-5-7-13-31-23)33-29(19-21)25-11-12-26(36-35-25)30-20-22(38-16-4-2)18-28(34-30)24-10-6-8-14-32-24/h5-14,17-20H,3-4,15-16H2,1-2H3
InChIKeyGADRICUUOHCIPW-UHFFFAOYSA-N
XLogP7.73
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.73
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827506
4-propylsulfanyl-2-[6-(4-propylsulfanyl-6-pyridin-4-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-4-ylpyridine
CID 101364521
propane;2-pyridin-2-ylpyridine
CID 158168510
ethane;3-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridazine
CID 143616936
4-(2-methoxyethoxy)-2,6-dipyridin-2-ylpyridine
CID 14879099
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine
CID 56678749
3-pyridin-2-yl-6-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridazine
CID 59140943

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine?
The IUPAC name of 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine (CID 177463248) is 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine.
What is the SMILES notation for 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine?
The canonical SMILES for 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine is CCCSc1cc(-c2ccccn2)nc(-c2ccc(-c3cc(SCCC)cc(-c4ccccn4)n3)nn2)c1.
What is the InChIKey of 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine?
The InChIKey is GADRICUUOHCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6S2/c1-3-15-37-21-17-27(23-9-5-7-13-31-23)33-29(19-21)25-11-12-26(36-35-25)30-20-22(38-16-4-2)18-28(34-30)24-10-6-8-14-32-24/h5-14,17-20H,3-4,15-16H2,1-2H3.
What are the key properties of 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine?
3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine has a molecular weight of 536.73 g/mol, XLogP of 7.73, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine is sourced from PubChem (CID 177463248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).