3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine

C19H18N2OS — CID 7206032

IUPAC3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2cccc(C)c2)nn1
InChIInChI=1S/C19H18N2OS/c1-14-6-5-7-15(12-14)13-23-19-11-10-17(20-21-19)16-8-3-4-9-18(16)22-2/h3-12H,13H2,1-2H3
InChIKeyCGLAKNACPKDPPR-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.75
Rot. Bonds5

About 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine

3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine (PubChem CID 7206032) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
PubChem CID7206032
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2cccc(C)c2)nn1
InChIInChI=1S/C19H18N2OS/c1-14-6-5-7-15(12-14)13-23-19-11-10-17(20-21-19)16-8-3-4-9-18(16)22-2/h3-12H,13H2,1-2H3
InChIKeyCGLAKNACPKDPPR-UHFFFAOYSA-N
XLogP4.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine (CID 7206032) is 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine is COc1ccccc1-c1ccc(SCc2cccc(C)c2)nn1.
What is the InChIKey of 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
The InChIKey is CGLAKNACPKDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-6-5-7-15(12-14)13-23-19-11-10-17(20-21-19)16-8-3-4-9-18(16)22-2/h3-12H,13H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine?
3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine has a molecular weight of 322.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 7206032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).