5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

C10H9F3N4OS — CID 19436802

IUPAC5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCSc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C10H9F3N4OS/c1-17-9(4-7(16-17)10(11,12)13)18-8-3-6(19-2)5-14-15-8/h3-5H,1-2H3
InChIKeyDFIURWKYBSUNHV-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.74
Rot. Bonds3

About 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine

5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (PubChem CID 19436802) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.

Molecular Properties

Compound Name5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
PubChem CID19436802
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine
SMILESCSc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C10H9F3N4OS/c1-17-9(4-7(16-17)10(11,12)13)18-8-3-6(19-2)5-14-15-8/h3-5H,1-2H3
InChIKeyDFIURWKYBSUNHV-UHFFFAOYSA-N
XLogP2.74
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The IUPAC name of 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine (CID 19436802) is 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine.
What is the SMILES notation for 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The canonical SMILES for 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is CSc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
The InChIKey is DFIURWKYBSUNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-17-9(4-7(16-17)10(11,12)13)18-8-3-6(19-2)5-14-15-8/h3-5H,1-2H3.
What are the key properties of 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine?
5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine has a molecular weight of 290.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine is sourced from PubChem (CID 19436802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).