4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole

C15H11BrClN3 — CID 63385450

IUPAC4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
SMILESCc1ccc(-n2c(Cl)nnc2-c2ccccc2)cc1Br
InChIInChI=1S/C15H11BrClN3/c1-10-7-8-12(9-13(10)16)20-14(18-19-15(20)17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyKDIMHIYKLNGABE-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.66
Rot. Bonds2

About 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole

4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole (PubChem CID 63385450) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
PubChem CID63385450
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
SMILESCc1ccc(-n2c(Cl)nnc2-c2ccccc2)cc1Br
InChIInChI=1S/C15H11BrClN3/c1-10-7-8-12(9-13(10)16)20-14(18-19-15(20)17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyKDIMHIYKLNGABE-UHFFFAOYSA-N
XLogP4.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
CID 63384103
3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 63384515
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole
CID 63383941
3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
CID 63384355
3-chloro-4-(2-chloro-6-methylphenyl)-5-phenyl-1,2,4-triazole
CID 66253948
4-(4-bromo-3-methylphenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 63384768
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947
4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 107617166
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole
CID 1289597
3-chloro-4-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazole
CID 63384970

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole?
The IUPAC name of 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole (CID 63385450) is 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole?
The canonical SMILES for 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole is Cc1ccc(-n2c(Cl)nnc2-c2ccccc2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole?
The InChIKey is KDIMHIYKLNGABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c1-10-7-8-12(9-13(10)16)20-14(18-19-15(20)17)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole?
4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole has a molecular weight of 348.63 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 63385450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).