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

C14H10BrN3 — CID 61352587

IUPAC5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole
SMILESBrc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H10BrN3/c15-12-9-5-4-8-11(12)14-16-13(17-18-14)10-6-2-1-3-7-10/h1-9H,(H,16,17,18)
InChIKeyDIWNQZNKBUKHDH-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.90
Rot. Bonds2

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

5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 61352587) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole
PubChem CID61352587
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole
SMILESBrc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H10BrN3/c15-12-9-5-4-8-11(12)14-16-13(17-18-14)10-6-2-1-3-7-10/h1-9H,(H,16,17,18)
InChIKeyDIWNQZNKBUKHDH-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 5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole (CID 61352587) is 5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole is Brc1ccccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is DIWNQZNKBUKHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-9-5-4-8-11(12)14-16-13(17-18-14)10-6-2-1-3-7-10/h1-9H,(H,16,17,18).
What are the key properties of 5-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole?
5-(2-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-(2-bromophenyl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 61352587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).