3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine

C16H21N5O2S — CID 121058580

IUPAC3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
SMILESCC(C)S(=O)(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C16H21N5O2S/c1-13(2)24(22,23)21-11-9-20(10-12-21)16-7-6-15(18-19-16)14-5-3-4-8-17-14/h3-8,13H,9-12H2,1-2H3
InChIKeySREAWMWKIHQMRJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.40
Rot. Bonds4

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

3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine (PubChem CID 121058580) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
PubChem CID121058580
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
SMILESCC(C)S(=O)(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1
InChIInChI=1S/C16H21N5O2S/c1-13(2)24(22,23)21-11-9-20(10-12-21)16-7-6-15(18-19-16)14-5-3-4-8-17-14/h3-8,13H,9-12H2,1-2H3
InChIKeySREAWMWKIHQMRJ-UHFFFAOYSA-N
XLogP1.40
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
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
6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 167803035
3-methyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 25283703
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
2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 47371249
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490637
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-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine (CID 121058580) is 3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine is CC(C)S(=O)(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1.
What is the InChIKey of 3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine?
The InChIKey is SREAWMWKIHQMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-13(2)24(22,23)21-11-9-20(10-12-21)16-7-6-15(18-19-16)14-5-3-4-8-17-14/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine?
3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine has a molecular weight of 347.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 121058580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).