3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

C18H17N3S — CID 7162180

IUPAC3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESCCc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1
InChIInChI=1S/C18H17N3S/c1-2-14-6-8-15(9-7-14)17-10-11-18(21-20-17)22-13-16-5-3-4-12-19-16/h3-12H,2,13H2,1H3
InChIKeyNXEWJJHTXVQUNZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.39
Rot. Bonds5

About 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (PubChem CID 7162180) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
PubChem CID7162180
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC Name3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESCCc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1
InChIInChI=1S/C18H17N3S/c1-2-14-6-8-15(9-7-14)17-10-11-18(21-20-17)22-13-16-5-3-4-12-19-16/h3-12H,2,13H2,1H3
InChIKeyNXEWJJHTXVQUNZ-UHFFFAOYSA-N
XLogP4.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The IUPAC name of 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (CID 7162180) is 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The canonical SMILES for 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is CCc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The InChIKey is NXEWJJHTXVQUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S/c1-2-14-6-8-15(9-7-14)17-10-11-18(21-20-17)22-13-16-5-3-4-12-19-16/h3-12H,2,13H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine has a molecular weight of 307.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is sourced from PubChem (CID 7162180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).