3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine

C19H25N3OS — CID 7672432

IUPAC3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
SMILESCCOc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C19H25N3OS/c1-2-23-17-8-6-16(7-9-17)18-10-11-19(21-20-18)24-15-14-22-12-4-3-5-13-22/h6-11H,2-5,12-15H2,1H3
InChIKeyAIMKSSCHKNLLJG-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.12
Rot. Bonds7

About 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine

3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine (PubChem CID 7672432) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
PubChem CID7672432
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
SMILESCCOc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C19H25N3OS/c1-2-23-17-8-6-16(7-9-17)18-10-11-19(21-20-18)24-15-14-22-12-4-3-5-13-22/h6-11H,2-5,12-15H2,1H3
InChIKeyAIMKSSCHKNLLJG-UHFFFAOYSA-N
XLogP4.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The IUPAC name of 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine (CID 7672432) is 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine is CCOc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The InChIKey is AIMKSSCHKNLLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-23-17-8-6-16(7-9-17)18-10-11-19(21-20-18)24-15-14-22-12-4-3-5-13-22/h6-11H,2-5,12-15H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine has a molecular weight of 343.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine is sourced from PubChem (CID 7672432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).