3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine

C16H28N6O2S — CID 121038125

IUPAC3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine
SMILESCCN1CCN(c2ccc(N3CCN(S(=O)(=O)CC)CC3)nn2)CC1
InChIInChI=1S/C16H28N6O2S/c1-3-19-7-9-20(10-8-19)15-5-6-16(18-17-15)21-11-13-22(14-12-21)25(23,24)4-2/h5-6H,3-4,7-14H2,1-2H3
InChIKeyHNCGZTXINPJIAZ-UHFFFAOYSA-N
MW368.51 g/mol
LogP0.09
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine

3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine (PubChem CID 121038125) has the molecular formula C16H28N6O2S and a molecular weight of 368.51 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine
PubChem CID121038125
Molecular FormulaC16H28N6O2S
Molecular Weight368.51 g/mol
Exact Mass368.20
IUPAC Name3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine
SMILESCCN1CCN(c2ccc(N3CCN(S(=O)(=O)CC)CC3)nn2)CC1
InChIInChI=1S/C16H28N6O2S/c1-3-19-7-9-20(10-8-19)15-5-6-16(18-17-15)21-11-13-22(14-12-21)25(23,24)4-2/h5-6H,3-4,7-14H2,1-2H3
InChIKeyHNCGZTXINPJIAZ-UHFFFAOYSA-N
XLogP0.09
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
3-(4-ethylpiperazin-1-yl)-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121038128
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121038195
N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 62279640
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
2-[4-[6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336864
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121038209
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine (CID 121038125) is 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine is CCN1CCN(c2ccc(N3CCN(S(=O)(=O)CC)CC3)nn2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine?
The InChIKey is HNCGZTXINPJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2S/c1-3-19-7-9-20(10-8-19)15-5-6-16(18-17-15)21-11-13-22(14-12-21)25(23,24)4-2/h5-6H,3-4,7-14H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine?
3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine has a molecular weight of 368.51 g/mol, XLogP of 0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-6-(4-ethylsulfonylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 121038125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).