3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole

C10H6Cl2F3N3S — CID 2743088

IUPAC3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(SCc2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C10H6Cl2F3N3S/c11-6-2-1-5(7(12)3-6)4-19-9-16-8(17-18-9)10(13,14)15/h1-3H,4H2,(H,16,17,18)
InChIKeyAEPVWAAMUKUJTP-UHFFFAOYSA-N
MW328.15 g/mol
LogP4.42
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole

3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 2743088) has the molecular formula C10H6Cl2F3N3S and a molecular weight of 328.15 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID2743088
Molecular FormulaC10H6Cl2F3N3S
Molecular Weight328.15 g/mol
Exact Mass326.96
IUPAC Name3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(SCc2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C10H6Cl2F3N3S/c11-6-2-1-5(7(12)3-6)4-19-9-16-8(17-18-9)10(13,14)15/h1-3H,4H2,(H,16,17,18)
InChIKeyAEPVWAAMUKUJTP-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,4-dichlorophenyl)methylsulfanyl]-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

Related Compounds

3-[(2,4-dichlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine
CID 737273
5-(2,4-Dichloro-benzylsulfanyl)-3-propyl-1H-[1,2,4]triazole
CID 724562
5-[(3,4-dichlorobenzyl)thio]-3-methyl-1H-1,2,4-triazole
CID 734741
5-[(2-chlorobenzyl)thio]-3-propyl-1H-1,2,4-triazole
CID 724561
3-(benzylthio)-5-(trifluoromethyl)-4H-1,2,4-triazole
CID 23723086
5-[(4-chlorobenzyl)thio]-3-ethyl-1H-1,2,4-triazole
CID 724554
3-[(2,4-dichlorobenzyl)sulfonyl]-5-propyl-4H-1,2,4-triazole
CID 664241
2-chloro-6-fluorobenzyl 3-methyl-1H-1,2,4-triazol-5-yl sulfide
CID 724547
6-(2,4-dichlorophenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 4210394
5-((4-chlorobenzyl)thio)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 339583
(E)-1-(2,4-dichlorophenyl)-N-[3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine
CID 24320429
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 339742

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole (CID 2743088) is 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1nc(SCc2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is AEPVWAAMUKUJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3N3S/c11-6-2-1-5(7(12)3-6)4-19-9-16-8(17-18-9)10(13,14)15/h1-3H,4H2,(H,16,17,18).
What are the key properties of 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole?
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 328.15 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 2743088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).