4-(4-bromophenyl)-1-phenyltriazole

C14H10BrN3 — CID 58349860

IUPAC4-(4-bromophenyl)-1-phenyltriazole
SMILESBrc1ccc(-c2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-10-18(17-16-14)13-4-2-1-3-5-13/h1-10H
InChIKeyDPCGHVRNHBDTBO-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.70
Rot. Bonds2

About 4-(4-bromophenyl)-1-phenyltriazole

4-(4-bromophenyl)-1-phenyltriazole (PubChem CID 58349860) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-phenyltriazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-phenyltriazole
PubChem CID58349860
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name4-(4-bromophenyl)-1-phenyltriazole
SMILESBrc1ccc(-c2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-10-18(17-16-14)13-4-2-1-3-5-13/h1-10H
InChIKeyDPCGHVRNHBDTBO-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-1-phenyltriazole 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 4-(4-bromophenyl)-1-phenyltriazole?
The IUPAC name of 4-(4-bromophenyl)-1-phenyltriazole (CID 58349860) is 4-(4-bromophenyl)-1-phenyltriazole.
What is the SMILES notation for 4-(4-bromophenyl)-1-phenyltriazole?
The canonical SMILES for 4-(4-bromophenyl)-1-phenyltriazole is Brc1ccc(-c2cn(-c3ccccc3)nn2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1-phenyltriazole?
The InChIKey is DPCGHVRNHBDTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-10-18(17-16-14)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 4-(4-bromophenyl)-1-phenyltriazole?
4-(4-bromophenyl)-1-phenyltriazole has a molecular weight of 300.16 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-phenyltriazole is sourced from PubChem (CID 58349860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).