4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole

C11H11F2N3O2S — CID 56788269

IUPAC4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole
SMILESCS(=O)c1nncn1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11F2N3O2S/c1-19(17)11-15-14-7-16(11)6-8-2-4-9(5-3-8)18-10(12)13/h2-5,7,10H,6H2,1H3
InChIKeyOFSHPWRPESWWTF-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.67
Rot. Bonds5

About 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole

4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole (PubChem CID 56788269) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole
PubChem CID56788269
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole
SMILESCS(=O)c1nncn1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11F2N3O2S/c1-19(17)11-15-14-7-16(11)6-8-2-4-9(5-3-8)18-10(12)13/h2-5,7,10H,6H2,1H3
InChIKeyOFSHPWRPESWWTF-UHFFFAOYSA-N
XLogP1.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole?
The IUPAC name of 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole (CID 56788269) is 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole.
What is the SMILES notation for 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole?
The canonical SMILES for 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole is CS(=O)c1nncn1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole?
The InChIKey is OFSHPWRPESWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-19(17)11-15-14-7-16(11)6-8-2-4-9(5-3-8)18-10(12)13/h2-5,7,10H,6H2,1H3.
What are the key properties of 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole?
4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole has a molecular weight of 287.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylsulfinyl-1,2,4-triazole is sourced from PubChem (CID 56788269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).