5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole

C14H10BrN3 — CID 61353182

IUPAC5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole
SMILESBrc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyPLRURNUSAXSWDI-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.90
Rot. Bonds2

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

5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 61353182) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole
PubChem CID61353182
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole
SMILESBrc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyPLRURNUSAXSWDI-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole (CID 61353182) is 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole is Brc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is PLRURNUSAXSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18).
What are the key properties of 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole?
5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 300.16 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 61353182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).