3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine

C17H19N3S — CID 70482414

IUPAC3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine
SMILESCSc1ccc(C2CC(c3cccc(C)c3)=CCN2)nn1
InChIInChI=1S/C17H19N3S/c1-12-4-3-5-13(10-12)14-8-9-18-16(11-14)15-6-7-17(21-2)20-19-15/h3-8,10,16,18H,9,11H2,1-2H3
InChIKeyGSYBOLVNJVTRLL-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.62
Rot. Bonds3

About 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine

3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine (PubChem CID 70482414) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine
PubChem CID70482414
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine
SMILESCSc1ccc(C2CC(c3cccc(C)c3)=CCN2)nn1
InChIInChI=1S/C17H19N3S/c1-12-4-3-5-13(10-12)14-8-9-18-16(11-14)15-6-7-17(21-2)20-19-15/h3-8,10,16,18H,9,11H2,1-2H3
InChIKeyGSYBOLVNJVTRLL-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenyl)-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
CID 19863560
(2R)-2,4-bis(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 69139327
3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine
CID 88699252
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole
CID 126536455
(1R,5R)-3-[6-(3-methylphenyl)pyridazin-3-yl]-3,6-diazabicyclo[3.2.0]heptane
CID 57467058
2-methyl-4-(3-methylphenyl)-1,5-dihydropyrazole
CID 134289682
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
5-chloro-3-(3-methylphenyl)pyridazine
CID 117106953
1-(4-ethylcyclopenta-1,3-dien-1-yl)-3-methylbenzene
CID 59491860
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole
CID 142183458

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine?
The IUPAC name of 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine (CID 70482414) is 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine?
The canonical SMILES for 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine is CSc1ccc(C2CC(c3cccc(C)c3)=CCN2)nn1.
What is the InChIKey of 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine?
The InChIKey is GSYBOLVNJVTRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-4-3-5-13(10-12)14-8-9-18-16(11-14)15-6-7-17(21-2)20-19-15/h3-8,10,16,18H,9,11H2,1-2H3.
What are the key properties of 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine?
3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine has a molecular weight of 297.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-6-methylsulfanylpyridazine is sourced from PubChem (CID 70482414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).