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

C9H13ClN4O2S — CID 55025868

IUPAC3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
SMILESCS(=O)(=O)N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C9H13ClN4O2S/c1-17(15,16)14-6-4-13(5-7-14)9-3-2-8(10)11-12-9/h2-3H,4-7H2,1H3
InChIKeyFNTWYPNHAWHJMW-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.21
Rot. Bonds2

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

3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine (PubChem CID 55025868) has the molecular formula C9H13ClN4O2S and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
PubChem CID55025868
Molecular FormulaC9H13ClN4O2S
Molecular Weight276.75 g/mol
Exact Mass276.04
IUPAC Name3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
SMILESCS(=O)(=O)N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C9H13ClN4O2S/c1-17(15,16)14-6-4-13(5-7-14)9-3-2-8(10)11-12-9/h2-3H,4-7H2,1H3
InChIKeyFNTWYPNHAWHJMW-UHFFFAOYSA-N
XLogP0.21
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 18584515
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 94178167
3-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 20823118
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
3-chloro-6-(4-propylpiperazin-1-yl)pyridazine
CID 43090208
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 15123395
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
1-[3-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63003835

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine (CID 55025868) is 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine is CS(=O)(=O)N1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
The InChIKey is FNTWYPNHAWHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2S/c1-17(15,16)14-6-4-13(5-7-14)9-3-2-8(10)11-12-9/h2-3H,4-7H2,1H3.
What are the key properties of 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine?
3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine has a molecular weight of 276.75 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 55025868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).