5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole

C19H15ClF3N7S — CID 55861305

IUPAC5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
SMILESCCn1c(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF3N7S/c1-2-29-17(12-3-7-14(20)8-4-12)25-26-18(29)31-11-16-24-27-28-30(16)15-9-5-13(6-10-15)19(21,22)23/h3-10H,2,11H2,1H3
InChIKeyBJGWFGMYNBNAIR-UHFFFAOYSA-N
MW465.89 g/mol
LogP4.91
Rot. Bonds6

About 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole

5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole (PubChem CID 55861305) has the molecular formula C19H15ClF3N7S and a molecular weight of 465.89 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
PubChem CID55861305
Molecular FormulaC19H15ClF3N7S
Molecular Weight465.89 g/mol
Exact Mass465.08
IUPAC Name5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
SMILESCCn1c(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF3N7S/c1-2-29-17(12-3-7-14(20)8-4-12)25-26-18(29)31-11-16-24-27-28-30(16)15-9-5-13(6-10-15)19(21,22)23/h3-10H,2,11H2,1H3
InChIKeyBJGWFGMYNBNAIR-UHFFFAOYSA-N
XLogP4.91
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole 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-(4-chlorophenyl)-4-ethyl-5-ethylsulfanyl-1,2,4-triazole
CID 967172
5-[(3,4-dimethylphenyl)sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole
CID 55861827
3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 3812547
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1295623
1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 55860028
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 3881019
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
CID 2615977
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 2041955
3-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
CID 2969675
1-(4-chlorophenyl)-5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]tetrazole
CID 75369080
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 16505741
4-ethyl-3-(4-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 17383049

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole (CID 55861305) is 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole is CCn1c(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is BJGWFGMYNBNAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N7S/c1-2-29-17(12-3-7-14(20)8-4-12)25-26-18(29)31-11-16-24-27-28-30(16)15-9-5-13(6-10-15)19(21,22)23/h3-10H,2,11H2,1H3.
What are the key properties of 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole?
5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 465.89 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-[4-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 55861305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).