[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

C11H17N5O3S — CID 62992096

IUPAC[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)nn1
InChIInChI=1S/C11H17N5O3S/c1-12-10-4-3-9(13-14-10)11(17)15-5-7-16(8-6-15)20(2,18)19/h3-4H,5-8H2,1-2H3,(H,12,14)
InChIKeyUHMVQRDEWKWXCU-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.76
Rot. Bonds3

About [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 62992096) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID62992096
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)nn1
InChIInChI=1S/C11H17N5O3S/c1-12-10-4-3-9(13-14-10)11(17)15-5-7-16(8-6-15)20(2,18)19/h3-4H,5-8H2,1-2H3,(H,12,14)
InChIKeyUHMVQRDEWKWXCU-UHFFFAOYSA-N
XLogP-0.76
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 62204390
5-(4-methylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 60725146
(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
CID 102969358
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81237800
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 63004045
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109110976
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172

Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 62992096) is [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is CNc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)nn1.
What is the InChIKey of [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is UHMVQRDEWKWXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-12-10-4-3-9(13-14-10)11(17)15-5-7-16(8-6-15)20(2,18)19/h3-4H,5-8H2,1-2H3,(H,12,14).
What are the key properties of [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 299.36 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)pyridazin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 62992096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).