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

C10H13N5O2S — CID 163347936

IUPAC6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
SMILESCS(=O)(=O)N1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C10H13N5O2S/c1-18(16,17)15-6-4-14(5-7-15)10-3-2-9(8-11)12-13-10/h2-3H,4-7H2,1H3
InChIKeyIXPZDODYBDMRBZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.57
Rot. Bonds2

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

6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile (PubChem CID 163347936) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
PubChem CID163347936
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
SMILESCS(=O)(=O)N1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C10H13N5O2S/c1-18(16,17)15-6-4-14(5-7-15)10-3-2-9(8-11)12-13-10/h2-3H,4-7H2,1H3
InChIKeyIXPZDODYBDMRBZ-UHFFFAOYSA-N
XLogP-0.57
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.57
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-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 18584515
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
CID 131122931
3-(4-methylsulfonylpiperazin-1-yl)-6-pyridin-2-ylpyridazine
CID 25283779
6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 163350137
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
CID 133434346
6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133433565
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
CID 139547658

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile?
The IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile (CID 163347936) is 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile is CS(=O)(=O)N1CCN(c2ccc(C#N)nn2)CC1.
What is the InChIKey of 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile?
The InChIKey is IXPZDODYBDMRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-18(16,17)15-6-4-14(5-7-15)10-3-2-9(8-11)12-13-10/h2-3H,4-7H2,1H3.
What are the key properties of 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile?
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 163347936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).