2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine

C14H11F3N4OS — CID 17424311

IUPAC2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
SMILESCc1occc1-c1nnc(Sc2ccc(C(F)(F)F)cn2)n1C
InChIInChI=1S/C14H11F3N4OS/c1-8-10(5-6-22-8)12-19-20-13(21(12)2)23-11-4-3-9(7-18-11)14(15,16)17/h3-7H,1-2H3
InChIKeyPIXYOLMDHDRNEW-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.95
Rot. Bonds3

About 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine

2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine (PubChem CID 17424311) has the molecular formula C14H11F3N4OS and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
PubChem CID17424311
Molecular FormulaC14H11F3N4OS
Molecular Weight340.33 g/mol
Exact Mass340.06
IUPAC Name2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
SMILESCc1occc1-c1nnc(Sc2ccc(C(F)(F)F)cn2)n1C
InChIInChI=1S/C14H11F3N4OS/c1-8-10(5-6-22-8)12-19-20-13(21(12)2)23-11-4-3-9(7-18-11)14(15,16)17/h3-7H,1-2H3
InChIKeyPIXYOLMDHDRNEW-UHFFFAOYSA-N
XLogP3.95
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine 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 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine (CID 17424311) is 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine is Cc1occc1-c1nnc(Sc2ccc(C(F)(F)F)cn2)n1C.
What is the InChIKey of 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine?
The InChIKey is PIXYOLMDHDRNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4OS/c1-8-10(5-6-22-8)12-19-20-13(21(12)2)23-11-4-3-9(7-18-11)14(15,16)17/h3-7H,1-2H3.
What are the key properties of 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine?
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine has a molecular weight of 340.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 17424311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).