1-(4-bromophenyl)-4-phenyltriazole

C14H10BrN3 — CID 71492183

IUPAC1-(4-bromophenyl)-4-phenyltriazole
SMILESBrc1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H10BrN3/c15-12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyFUHLSYNEUNRFQQ-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.70
Rot. Bonds2

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

1-(4-bromophenyl)-4-phenyltriazole (PubChem CID 71492183) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-phenyltriazole
PubChem CID71492183
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name1-(4-bromophenyl)-4-phenyltriazole
SMILESBrc1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H10BrN3/c15-12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyFUHLSYNEUNRFQQ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-phenyltriazole?
The IUPAC name of 1-(4-bromophenyl)-4-phenyltriazole (CID 71492183) is 1-(4-bromophenyl)-4-phenyltriazole.
What is the SMILES notation for 1-(4-bromophenyl)-4-phenyltriazole?
The canonical SMILES for 1-(4-bromophenyl)-4-phenyltriazole is Brc1ccc(-n2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-phenyltriazole?
The InChIKey is FUHLSYNEUNRFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-(4-bromophenyl)-4-phenyltriazole?
1-(4-bromophenyl)-4-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 1-(4-bromophenyl)-4-phenyltriazole is sourced from PubChem (CID 71492183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).