4-(4-bromophenyl)-5-phenyl-2H-triazole

C14H10BrN3 — CID 134910162

IUPAC4-(4-bromophenyl)-5-phenyl-2H-triazole
SMILESBrc1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyQMKSMUFVXYVNDF-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.90
Rot. Bonds2

About 4-(4-bromophenyl)-5-phenyl-2H-triazole

4-(4-bromophenyl)-5-phenyl-2H-triazole (PubChem CID 134910162) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-phenyl-2H-triazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-phenyl-2H-triazole
PubChem CID134910162
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name4-(4-bromophenyl)-5-phenyl-2H-triazole
SMILESBrc1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyQMKSMUFVXYVNDF-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-phenyl-2H-triazole?
The IUPAC name of 4-(4-bromophenyl)-5-phenyl-2H-triazole (CID 134910162) is 4-(4-bromophenyl)-5-phenyl-2H-triazole.
What is the SMILES notation for 4-(4-bromophenyl)-5-phenyl-2H-triazole?
The canonical SMILES for 4-(4-bromophenyl)-5-phenyl-2H-triazole is Brc1ccc(-c2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-phenyl-2H-triazole?
The InChIKey is QMKSMUFVXYVNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18).
What are the key properties of 4-(4-bromophenyl)-5-phenyl-2H-triazole?
4-(4-bromophenyl)-5-phenyl-2H-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 4-(4-bromophenyl)-5-phenyl-2H-triazole is sourced from PubChem (CID 134910162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).