6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid

C12H18N4O4S — CID 167803035

IUPAC6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
SMILESCC(C)S(=O)(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C12H18N4O4S/c1-9(2)21(19,20)16-7-5-15(6-8-16)11-4-3-10(12(17)18)13-14-11/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyIODBSEURECDRRP-UHFFFAOYSA-N
MW314.37 g/mol
LogP0.04
Rot. Bonds4

About 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid

6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 167803035) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
PubChem CID167803035
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
SMILESCC(C)S(=O)(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1
InChIInChI=1S/C12H18N4O4S/c1-9(2)21(19,20)16-7-5-15(6-8-16)11-4-3-10(12(17)18)13-14-11/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyIODBSEURECDRRP-UHFFFAOYSA-N
XLogP0.04
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
3-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 121058580
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-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
6-(3-hydroxy-3-methylazetidin-1-yl)pyridazine-3-carboxylic acid
CID 131162753
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
(2R)-2-ethyl-3-[4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]butanoic acid
CID 91018883
2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 47371249
6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
CID 62973875
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid (CID 167803035) is 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid is CC(C)S(=O)(=O)N1CCN(c2ccc(C(=O)O)nn2)CC1.
What is the InChIKey of 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is IODBSEURECDRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-9(2)21(19,20)16-7-5-15(6-8-16)11-4-3-10(12(17)18)13-14-11/h3-4,9H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid?
6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 314.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 167803035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).