3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine

C15H25N5O2S — CID 18584515

IUPAC3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
SMILESCC1CCN(c2ccc(N3CCN(S(C)(=O)=O)CC3)nn2)CC1
InChIInChI=1S/C15H25N5O2S/c1-13-5-7-18(8-6-13)14-3-4-15(17-16-14)19-9-11-20(12-10-19)23(2,21)22/h3-4,13H,5-12H2,1-2H3
InChIKeyYPQAXJLFOYHVAX-UHFFFAOYSA-N
MW339.47 g/mol
LogP0.79
Rot. Bonds3

About 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine

3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine (PubChem CID 18584515) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
PubChem CID18584515
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
SMILESCC1CCN(c2ccc(N3CCN(S(C)(=O)=O)CC3)nn2)CC1
InChIInChI=1S/C15H25N5O2S/c1-13-5-7-18(8-6-13)14-3-4-15(17-16-14)19-9-11-20(12-10-19)23(2,21)22/h3-4,13H,5-12H2,1-2H3
InChIKeyYPQAXJLFOYHVAX-UHFFFAOYSA-N
XLogP0.79
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 55025868
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336222
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336258
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122336212
6-(4-methylpiperidin-1-yl)pyridazin-3-amine
CID 66520536
3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine
CID 113039258
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine (CID 18584515) is 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine is CC1CCN(c2ccc(N3CCN(S(C)(=O)=O)CC3)nn2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The InChIKey is YPQAXJLFOYHVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-13-5-7-18(8-6-13)14-3-4-15(17-16-14)19-9-11-20(12-10-19)23(2,21)22/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine has a molecular weight of 339.47 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 18584515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).