1-(2-bromophenyl)-5-phenyltriazole

C14H10BrN3 — CID 102046608

IUPAC1-(2-bromophenyl)-5-phenyltriazole
SMILESBrc1ccccc1-n1nncc1-c1ccccc1
InChIInChI=1S/C14H10BrN3/c15-12-8-4-5-9-13(12)18-14(10-16-17-18)11-6-2-1-3-7-11/h1-10H
InChIKeyVBFWQUVOVPFLFB-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.70
Rot. Bonds2

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

1-(2-bromophenyl)-5-phenyltriazole (PubChem CID 102046608) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-phenyltriazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-phenyltriazole
PubChem CID102046608
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name1-(2-bromophenyl)-5-phenyltriazole
SMILESBrc1ccccc1-n1nncc1-c1ccccc1
InChIInChI=1S/C14H10BrN3/c15-12-8-4-5-9-13(12)18-14(10-16-17-18)11-6-2-1-3-7-11/h1-10H
InChIKeyVBFWQUVOVPFLFB-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

1-(2-bromophenyl)-5-(chloromethyl)triazole
CID 107450875
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
1-[(2-bromophenyl)methyl]-5-phenyltriazole
CID 14612090
N-phenyl-1-[2-(5-phenyltriazol-1-yl)phenyl]methanimine oxide
CID 4829684
1-(2-iodophenyl)-5-(4-methylphenyl)triazole
CID 146163953
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
3-[3-(2-bromophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167152
4-nitro-2-(5-phenyltriazol-1-yl)phenol
CID 10356396
3-(2-bromophenyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 166330657
1-(2-bromophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid
CID 29060309
[4-(5-phenyltriazol-1-yl)phenyl]thiourea
CID 169359407
1-(2-bromophenyl)-4,5-dimethylpyrazole
CID 21033983

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-phenyltriazole?
The IUPAC name of 1-(2-bromophenyl)-5-phenyltriazole (CID 102046608) is 1-(2-bromophenyl)-5-phenyltriazole.
What is the SMILES notation for 1-(2-bromophenyl)-5-phenyltriazole?
The canonical SMILES for 1-(2-bromophenyl)-5-phenyltriazole is Brc1ccccc1-n1nncc1-c1ccccc1.
What is the InChIKey of 1-(2-bromophenyl)-5-phenyltriazole?
The InChIKey is VBFWQUVOVPFLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-8-4-5-9-13(12)18-14(10-16-17-18)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-(2-bromophenyl)-5-phenyltriazole?
1-(2-bromophenyl)-5-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-(2-bromophenyl)-5-phenyltriazole is sourced from PubChem (CID 102046608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).