3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine

C23H34N6O4S — CID 121053243

IUPAC3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)c(OCC)c1
InChIInChI=1S/C23H34N6O4S/c1-4-32-19-6-7-21(20(18-19)33-5-2)34(30,31)29-16-14-28(15-17-29)23-9-8-22(24-25-23)27-12-10-26(3)11-13-27/h6-9,18H,4-5,10-17H2,1-3H3
InChIKeyCYLVZFCKLKHZKN-UHFFFAOYSA-N
MW490.63 g/mol
LogP1.54
Rot. Bonds8

About 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine

3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine (PubChem CID 121053243) has the molecular formula C23H34N6O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
PubChem CID121053243
Molecular FormulaC23H34N6O4S
Molecular Weight490.63 g/mol
Exact Mass490.24
IUPAC Name3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)c(OCC)c1
InChIInChI=1S/C23H34N6O4S/c1-4-32-19-6-7-21(20(18-19)33-5-2)34(30,31)29-16-14-28(15-17-29)23-9-8-22(24-25-23)27-12-10-26(3)11-13-27/h6-9,18H,4-5,10-17H2,1-3H3
InChIKeyCYLVZFCKLKHZKN-UHFFFAOYSA-N
XLogP1.54
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine (CID 121053243) is 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)c(OCC)c1.
What is the InChIKey of 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine?
The InChIKey is CYLVZFCKLKHZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4S/c1-4-32-19-6-7-21(20(18-19)33-5-2)34(30,31)29-16-14-28(15-17-29)23-9-8-22(24-25-23)27-12-10-26(3)11-13-27/h6-9,18H,4-5,10-17H2,1-3H3.
What are the key properties of 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine?
3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine has a molecular weight of 490.63 g/mol, XLogP of 1.54, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 121053243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).