3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine

C15H21N7O2S — CID 113043895

IUPAC3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C15H21N7O2S/c1-20(2)25(23,24)19-13-6-7-15(18-17-13)22-11-9-21(10-12-22)14-5-3-4-8-16-14/h3-8H,9-12H2,1-2H3,(H,17,19)
InChIKeyMHWOGSMKEKLUBH-UHFFFAOYSA-N
MW363.45 g/mol
LogP0.42
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine

3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 113043895) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
PubChem CID113043895
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C15H21N7O2S/c1-20(2)25(23,24)19-13-6-7-15(18-17-13)22-11-9-21(10-12-22)14-5-3-4-8-16-14/h3-8H,9-12H2,1-2H3,(H,17,19)
InChIKeyMHWOGSMKEKLUBH-UHFFFAOYSA-N
XLogP0.42
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 113043949
N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113043896
3-(dimethylsulfamoylamino)-6-piperidin-1-ylpyridazine
CID 113039016
3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine
CID 113043785
3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine
CID 113039258
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868
4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043874
N-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-sulfonamide
CID 69455573
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine (CID 113043895) is 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine is CN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)nn1.
What is the InChIKey of 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is MHWOGSMKEKLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-20(2)25(23,24)19-13-6-7-15(18-17-13)22-11-9-21(10-12-22)14-5-3-4-8-16-14/h3-8H,9-12H2,1-2H3,(H,17,19).
What are the key properties of 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 363.45 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 113043895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).