3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

C17H15N3OS — CID 7162189

IUPAC3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESCOc1cccc(-c2ccc(SCc3ccccn3)nn2)c1
InChIInChI=1S/C17H15N3OS/c1-21-15-7-4-5-13(11-15)16-8-9-17(20-19-16)22-12-14-6-2-3-10-18-14/h2-11H,12H2,1H3
InChIKeyBCBBDMANXLSFSD-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.84
Rot. Bonds5

About 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (PubChem CID 7162189) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
PubChem CID7162189
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESCOc1cccc(-c2ccc(SCc3ccccn3)nn2)c1
InChIInChI=1S/C17H15N3OS/c1-21-15-7-4-5-13(11-15)16-8-9-17(20-19-16)22-12-14-6-2-3-10-18-14/h2-11H,12H2,1H3
InChIKeyBCBBDMANXLSFSD-UHFFFAOYSA-N
XLogP3.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The IUPAC name of 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (CID 7162189) is 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The canonical SMILES for 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is COc1cccc(-c2ccc(SCc3ccccn3)nn2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The InChIKey is BCBBDMANXLSFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-21-15-7-4-5-13(11-15)16-8-9-17(20-19-16)22-12-14-6-2-3-10-18-14/h2-11H,12H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine has a molecular weight of 309.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is sourced from PubChem (CID 7162189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).