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

C20H14BrN3 — CID 59844934

IUPAC4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C20H14BrN3/c21-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)22-23-20(24)16-9-5-2-6-10-16/h1-14H
InChIKeyUYROTQZLUVRLJT-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.36
Rot. Bonds3

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

4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole (PubChem CID 59844934) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole
PubChem CID59844934
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC Name4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C20H14BrN3/c21-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)22-23-20(24)16-9-5-2-6-10-16/h1-14H
InChIKeyUYROTQZLUVRLJT-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole (CID 59844934) is 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole is Brc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole?
The InChIKey is UYROTQZLUVRLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3/c21-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)22-23-20(24)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole?
4-(4-bromophenyl)-3,5-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 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 59844934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).