3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine

C19H26N4OS — CID 11337297

IUPAC3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
SMILESCCS(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1
InChIInChI=1S/C19H26N4OS/c1-4-25(24)17-7-5-16(6-8-17)18-9-10-19(21-20-18)23-13-11-22(12-14-23)15(2)3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyDBAGXFWOLQMKOQ-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.80
Rot. Bonds5

About 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine

3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine (PubChem CID 11337297) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
PubChem CID11337297
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
SMILESCCS(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1
InChIInChI=1S/C19H26N4OS/c1-4-25(24)17-7-5-16(6-8-17)18-9-10-19(21-20-18)23-13-11-22(12-14-23)15(2)3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyDBAGXFWOLQMKOQ-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44430419
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CID 25283862
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CID 27373819
CID 27373819
CID 30849343
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CID 30849345
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CID 42110734
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CID 42110748
CID 42110748

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine (CID 11337297) is 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine is CCS(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1.
What is the InChIKey of 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is DBAGXFWOLQMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-4-25(24)17-7-5-16(6-8-17)18-9-10-19(21-20-18)23-13-11-22(12-14-23)15(2)3/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine?
3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 358.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfinylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 11337297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).