4-(2-bromophenyl)-1-(4-bromophenyl)triazole

C14H9Br2N3 — CID 102455880

IUPAC4-(2-bromophenyl)-1-(4-bromophenyl)triazole
SMILESBrc1ccc(-n2cc(-c3ccccc3Br)nn2)cc1
InChIInChI=1S/C14H9Br2N3/c15-10-5-7-11(8-6-10)19-9-14(17-18-19)12-3-1-2-4-13(12)16/h1-9H
InChIKeyDWJIUDOCZAWGNA-UHFFFAOYSA-N
MW379.06 g/mol
LogP4.46
Rot. Bonds2

About 4-(2-bromophenyl)-1-(4-bromophenyl)triazole

4-(2-bromophenyl)-1-(4-bromophenyl)triazole (PubChem CID 102455880) has the molecular formula C14H9Br2N3 and a molecular weight of 379.06 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-(4-bromophenyl)triazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-(4-bromophenyl)triazole
PubChem CID102455880
Molecular FormulaC14H9Br2N3
Molecular Weight379.06 g/mol
Exact Mass376.92
IUPAC Name4-(2-bromophenyl)-1-(4-bromophenyl)triazole
SMILESBrc1ccc(-n2cc(-c3ccccc3Br)nn2)cc1
InChIInChI=1S/C14H9Br2N3/c15-10-5-7-11(8-6-10)19-9-14(17-18-19)12-3-1-2-4-13(12)16/h1-9H
InChIKeyDWJIUDOCZAWGNA-UHFFFAOYSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.06
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromophenyl)-1-(4-bromophenyl)triazole with MolForge

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

Launch Full Analysis

Related Compounds

1,4-bis(2-bromophenyl)triazole
CID 102455877
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
3-(2-bromophenyl)-1-(4-bromophenyl)pyrazol-4-amine
CID 83223081
4-(4-naphthalen-1-yltriazol-1-yl)benzoic acid
CID 66616177
carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole
CID 157125996
4-(2-nitrophenyl)-1-(4-nitrophenyl)triazole
CID 101463885
1-(4-bromophenyl)-4-(trifluoromethyl)triazole
CID 165447875
tris[1-(4-bromophenyl)triazol-4-yl]methanol
CID 66849025
1-(4-chlorophenyl)-4-(2-nitrophenyl)triazole
CID 132536796
[2-[1-(3-bromophenyl)triazol-4-yl]phenyl] 4-methylbenzoate
CID 174972474
5-bromo-3-(2-bromophenyl)pyridazine
CID 117107058
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-(4-bromophenyl)triazole?
The IUPAC name of 4-(2-bromophenyl)-1-(4-bromophenyl)triazole (CID 102455880) is 4-(2-bromophenyl)-1-(4-bromophenyl)triazole.
What is the SMILES notation for 4-(2-bromophenyl)-1-(4-bromophenyl)triazole?
The canonical SMILES for 4-(2-bromophenyl)-1-(4-bromophenyl)triazole is Brc1ccc(-n2cc(-c3ccccc3Br)nn2)cc1.
What is the InChIKey of 4-(2-bromophenyl)-1-(4-bromophenyl)triazole?
The InChIKey is DWJIUDOCZAWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3/c15-10-5-7-11(8-6-10)19-9-14(17-18-19)12-3-1-2-4-13(12)16/h1-9H.
What are the key properties of 4-(2-bromophenyl)-1-(4-bromophenyl)triazole?
4-(2-bromophenyl)-1-(4-bromophenyl)triazole has a molecular weight of 379.06 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-(4-bromophenyl)triazole is sourced from PubChem (CID 102455880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).