5-(2-bromophenyl)-1-phenyltriazole

C14H10BrN3 — CID 146164567

IUPAC5-(2-bromophenyl)-1-phenyltriazole
SMILESBrc1ccccc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C14H10BrN3/c15-13-9-5-4-8-12(13)14-10-16-17-18(14)11-6-2-1-3-7-11/h1-10H
InChIKeyYLBOHMSDYVKFDA-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.70
Rot. Bonds2

About 5-(2-bromophenyl)-1-phenyltriazole

5-(2-bromophenyl)-1-phenyltriazole (PubChem CID 146164567) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-phenyltriazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-phenyltriazole
PubChem CID146164567
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name5-(2-bromophenyl)-1-phenyltriazole
SMILESBrc1ccccc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C14H10BrN3/c15-13-9-5-4-8-12(13)14-10-16-17-18(14)11-6-2-1-3-7-11/h1-10H
InChIKeyYLBOHMSDYVKFDA-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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Related Compounds

[2-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689604
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
1-(2-bromophenyl)-5-phenyltriazole
CID 102046608
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
4-(3-phenyltriazol-4-yl)-2,3-dihydro-1H-indole
CID 114689574
2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
CID 107616039
1-phenyl-5-thiophen-2-yltriazole
CID 121010770
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
2-methyl-4-(3-phenyltriazol-4-yl)aniline
CID 114689600
4-chloro-2-(3-phenyltriazol-4-yl)benzoic acid
CID 107989897
3-chloro-4-(3-phenyltriazol-4-yl)benzoic acid
CID 114689478

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-phenyltriazole?
The IUPAC name of 5-(2-bromophenyl)-1-phenyltriazole (CID 146164567) is 5-(2-bromophenyl)-1-phenyltriazole.
What is the SMILES notation for 5-(2-bromophenyl)-1-phenyltriazole?
The canonical SMILES for 5-(2-bromophenyl)-1-phenyltriazole is Brc1ccccc1-c1cnnn1-c1ccccc1.
What is the InChIKey of 5-(2-bromophenyl)-1-phenyltriazole?
The InChIKey is YLBOHMSDYVKFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-13-9-5-4-8-12(13)14-10-16-17-18(14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 5-(2-bromophenyl)-1-phenyltriazole?
5-(2-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 5-(2-bromophenyl)-1-phenyltriazole is sourced from PubChem (CID 146164567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).