4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine

C13H11F3N2OS — CID 19959667

IUPAC4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)nnc1SC
InChIInChI=1S/C13H11F3N2OS/c1-19-11-7-10(17-18-12(11)20-2)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3
InChIKeyAAGHOVHXUHWLPF-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.89
Rot. Bonds3

About 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine

4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 19959667) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID19959667
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)nnc1SC
InChIInChI=1S/C13H11F3N2OS/c1-19-11-7-10(17-18-12(11)20-2)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3
InChIKeyAAGHOVHXUHWLPF-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline
CID 23086712
3-methoxy-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134627212
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417
8-methoxy-3-[3-(trifluoromethyl)phenyl]isoquinoline
CID 163359867
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 58513228
2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089532
2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 11725302
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
4-chloro-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 86612500
4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine
CID 83285562

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine (CID 19959667) is 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine is COc1cc(-c2cccc(C(F)(F)F)c2)nnc1SC.
What is the InChIKey of 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is AAGHOVHXUHWLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-19-11-7-10(17-18-12(11)20-2)8-4-3-5-9(6-8)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine?
4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 300.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 19959667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).