3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine

C14H17N5O2S — CID 25283779

IUPAC3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C14H17N5O2S/c1-22(20,21)19-10-8-18(9-11-19)14-6-5-13(16-17-14)12-4-2-3-7-15-12/h2-7H,8-11H2,1H3
InChIKeyZYYZJXOZOHWTPR-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.62
Rot. Bonds3

About 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine

3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine (PubChem CID 25283779) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
PubChem CID25283779
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
SMILESCS(=O)(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C14H17N5O2S/c1-22(20,21)19-10-8-18(9-11-19)14-6-5-13(16-17-14)12-4-2-3-7-15-12/h2-7H,8-11H2,1H3
InChIKeyZYYZJXOZOHWTPR-UHFFFAOYSA-N
XLogP0.62
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 121058580
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490634
3-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490687
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490653
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490672
3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 121058143
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490660
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467685
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490637
3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 25283703
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine (CID 25283779) is 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine is CS(=O)(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine?
The InChIKey is ZYYZJXOZOHWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-22(20,21)19-10-8-18(9-11-19)14-6-5-13(16-17-14)12-4-2-3-7-15-12/h2-7H,8-11H2,1H3.
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine?
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine has a molecular weight of 319.39 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 25283779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).