3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine

C17H15N3S — CID 7207428

IUPAC3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
SMILESCc1ccccc1CSc1ccc(-c2cccnc2)nn1
InChIInChI=1S/C17H15N3S/c1-13-5-2-3-6-15(13)12-21-17-9-8-16(19-20-17)14-7-4-10-18-11-14/h2-11H,12H2,1H3
InChIKeyXWYUYWUIGYGCRC-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.14
Rot. Bonds4

About 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine

3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine (PubChem CID 7207428) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
PubChem CID7207428
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
SMILESCc1ccccc1CSc1ccc(-c2cccnc2)nn1
InChIInChI=1S/C17H15N3S/c1-13-5-2-3-6-15(13)12-21-17-9-8-16(19-20-17)14-7-4-10-18-11-14/h2-11H,12H2,1H3
InChIKeyXWYUYWUIGYGCRC-UHFFFAOYSA-N
XLogP4.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The IUPAC name of 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine (CID 7207428) is 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine is Cc1ccccc1CSc1ccc(-c2cccnc2)nn1.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The InChIKey is XWYUYWUIGYGCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-13-5-2-3-6-15(13)12-21-17-9-8-16(19-20-17)14-7-4-10-18-11-14/h2-11H,12H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine has a molecular weight of 293.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine is sourced from PubChem (CID 7207428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).