3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

C16H10Cl2F3N3 — CID 11494480

IUPAC3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCn1c(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10Cl2F3N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(17)8-13(11)18/h2-8H,1H3
InChIKeyMNSSEMZFKILJRI-UHFFFAOYSA-N
MW372.18 g/mol
LogP5.47
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 11494480) has the molecular formula C16H10Cl2F3N3 and a molecular weight of 372.18 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID11494480
Molecular FormulaC16H10Cl2F3N3
Molecular Weight372.18 g/mol
Exact Mass371.02
IUPAC Name3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCn1c(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10Cl2F3N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(17)8-13(11)18/h2-8H,1H3
InChIKeyMNSSEMZFKILJRI-UHFFFAOYSA-N
XLogP5.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.18
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9998483
4-Methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11682215
3-(1-(4-chlorophenyl)cyclobutyl)-5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole
CID 20724901
3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 20724912
3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-cyclobutyl]-4-methyl-4H-[1,2,4]triazole
CID 24857855
Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
3-(4-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9975639
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-o-tolyl-4H-1,2,4-triazole
CID 10315044
3-Biphenyl-4-yl-5-[1-(4-chloro-phenyl)-cyclobutyl]-4-methyl-4H-[1,2,4]triazole
CID 10340916
3-(1-(4-chlorophenyl)cyclobutyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole
CID 10359991
3-(2-Chlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11522916
3-(2-Chloro-4-fluorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11544921

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 11494480) is 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole is Cn1c(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is MNSSEMZFKILJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(17)8-13(11)18/h2-8H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole?
3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 372.18 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 11494480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).