3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine

C5H4F3N3S — CID 11063316

IUPAC3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine
SMILESCSc1ncc(C(F)(F)F)nn1
InChIInChI=1S/C5H4F3N3S/c1-12-4-9-2-3(10-11-4)5(6,7)8/h2H,1H3
InChIKeyMPLNQVQCPMSKNL-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.61
Rot. Bonds1

About 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine

3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine (PubChem CID 11063316) has the molecular formula C5H4F3N3S and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine
PubChem CID11063316
Molecular FormulaC5H4F3N3S
Molecular Weight195.17 g/mol
Exact Mass195.01
IUPAC Name3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine
SMILESCSc1ncc(C(F)(F)F)nn1
InChIInChI=1S/C5H4F3N3S/c1-12-4-9-2-3(10-11-4)5(6,7)8/h2H,1H3
InChIKeyMPLNQVQCPMSKNL-UHFFFAOYSA-N
XLogP1.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine?
The IUPAC name of 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine (CID 11063316) is 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine?
The canonical SMILES for 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine is CSc1ncc(C(F)(F)F)nn1.
What is the InChIKey of 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine?
The InChIKey is MPLNQVQCPMSKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3S/c1-12-4-9-2-3(10-11-4)5(6,7)8/h2H,1H3.
What are the key properties of 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine?
3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine has a molecular weight of 195.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-(trifluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 11063316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).