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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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).