3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole

C20H14BrN3 — CID 3165888

IUPAC3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole
SMILESBrc1ccccc1-c1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C20H14BrN3/c21-18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16/h1-14H
InChIKeyVMKMJOIPBXEILD-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.36
Rot. Bonds3

About 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole

3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole (PubChem CID 3165888) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole
PubChem CID3165888
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC Name3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole
SMILESBrc1ccccc1-c1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C20H14BrN3/c21-18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16/h1-14H
InChIKeyVMKMJOIPBXEILD-UHFFFAOYSA-N
XLogP5.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
3-Biphenyl-4-yl-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 4391207
1H-1,2,4-Triazole, 1,3,5-triphenyl-
CID 563249
3-Biphenyl-4-yl-5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazole
CID 4423823
3-Biphenyl-4-yl-5-ethyl-4-(2-fluorophenyl)-1,2,4-triazole
CID 50993656
3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-methyl-4H-1,2,4-triazole
CID 50994760
3-Biphenyl-4-yl-4-(2-ethylphenyl)-5-methyl-4H-1,2,4-triazole
CID 50994829
3-Ethyl-4-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 71762540
5-(2-bromophenyl)-1-(4-methylphenyl)-1H-tetrazole
CID 829409
5-[2-(2-Bromophenyl)phenyl]-1-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 73052994
3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
CID 11441792

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole?
The IUPAC name of 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole (CID 3165888) is 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole is Brc1ccccc1-c1nnc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole?
The InChIKey is VMKMJOIPBXEILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3/c21-18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole?
3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole has a molecular weight of 376.26 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 3165888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).