6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid

C10H14N4O4S — CID 63004045

IUPAC6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C10H14N4O4S/c1-19(17,18)14-6-4-13(5-7-14)9-3-2-8(10(15)16)11-12-9/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyXHNDBIROLSYJTG-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.74
Rot. Bonds3

About 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid

6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 63004045) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
PubChem CID63004045
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C10H14N4O4S/c1-19(17,18)14-6-4-13(5-7-14)9-3-2-8(10(15)16)11-12-9/h2-3H,4-7H2,1H3,(H,15,16)
InChIKeyXHNDBIROLSYJTG-UHFFFAOYSA-N
XLogP-0.74
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 167803035
3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 55025868
3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 18584515
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849323
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid
CID 131162753
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121072082

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid (CID 63004045) is 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid is CS(=O)(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1.
What is the InChIKey of 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is XHNDBIROLSYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-19(17,18)14-6-4-13(5-7-14)9-3-2-8(10(15)16)11-12-9/h2-3H,4-7H2,1H3,(H,15,16).
What are the key properties of 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid?
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 63004045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).