3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole

C7H4F3N3S — CID 58657237

IUPAC3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)6-11-5(12-13-6)4-2-1-3-14-4/h1-3H,(H,11,12,13)
InChIKeyKOWRVWHDSKNGJB-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.55
Rot. Bonds1

About 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole

3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 58657237) has the molecular formula C7H4F3N3S and a molecular weight of 219.19 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID58657237
Molecular FormulaC7H4F3N3S
Molecular Weight219.19 g/mol
Exact Mass219.01
IUPAC Name3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)6-11-5(12-13-6)4-2-1-3-14-4/h1-3H,(H,11,12,13)
InChIKeyKOWRVWHDSKNGJB-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-thiophen-2-yl-5-(trifluoromethyl)-1H-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 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole (CID 58657237) is 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1nc(-c2cccs2)n[nH]1.
What is the InChIKey of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is KOWRVWHDSKNGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S/c8-7(9,10)6-11-5(12-13-6)4-2-1-3-14-4/h1-3H,(H,11,12,13).
What are the key properties of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole?
3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 219.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 58657237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).