1-(2,5-dibromophenyl)-4-phenyltriazole

C14H9Br2N3 — CID 141406964

IUPAC1-(2,5-dibromophenyl)-4-phenyltriazole
SMILESBrc1ccc(Br)c(-n2cc(-c3ccccc3)nn2)c1
InChIInChI=1S/C14H9Br2N3/c15-11-6-7-12(16)14(8-11)19-9-13(17-18-19)10-4-2-1-3-5-10/h1-9H
InChIKeyUSBAREADCLDUAG-UHFFFAOYSA-N
MW379.06 g/mol
LogP4.46
Rot. Bonds2

About 1-(2,5-dibromophenyl)-4-phenyltriazole

1-(2,5-dibromophenyl)-4-phenyltriazole (PubChem CID 141406964) has the molecular formula C14H9Br2N3 and a molecular weight of 379.06 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-4-phenyltriazole
PubChem CID141406964
Molecular FormulaC14H9Br2N3
Molecular Weight379.06 g/mol
Exact Mass376.92
IUPAC Name1-(2,5-dibromophenyl)-4-phenyltriazole
SMILESBrc1ccc(Br)c(-n2cc(-c3ccccc3)nn2)c1
InChIInChI=1S/C14H9Br2N3/c15-11-6-7-12(16)14(8-11)19-9-13(17-18-19)10-4-2-1-3-5-10/h1-9H
InChIKeyUSBAREADCLDUAG-UHFFFAOYSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.06
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
1-(4-bromo-2-methylphenyl)-4-(4-bromophenyl)triazole
CID 170665250
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
1,4-bis(2-bromophenyl)triazole
CID 102455877
1-[1-(2,5-dibromophenyl)triazol-4-yl]-N-methylmethanamine
CID 66204877
4-methyl-3-(4-phenyltriazol-1-yl)aniline
CID 82369853
4-phenyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole
CID 71612772
5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine
CID 118303670
6-[1-(2,4-dibromophenyl)triazol-4-yl]quinazoline-2,4-diamine
CID 163214066
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764
N-[[1-(2,5-dibromophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66205081

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-4-phenyltriazole?
The IUPAC name of 1-(2,5-dibromophenyl)-4-phenyltriazole (CID 141406964) is 1-(2,5-dibromophenyl)-4-phenyltriazole.
What is the SMILES notation for 1-(2,5-dibromophenyl)-4-phenyltriazole?
The canonical SMILES for 1-(2,5-dibromophenyl)-4-phenyltriazole is Brc1ccc(Br)c(-n2cc(-c3ccccc3)nn2)c1.
What is the InChIKey of 1-(2,5-dibromophenyl)-4-phenyltriazole?
The InChIKey is USBAREADCLDUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3/c15-11-6-7-12(16)14(8-11)19-9-13(17-18-19)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(2,5-dibromophenyl)-4-phenyltriazole?
1-(2,5-dibromophenyl)-4-phenyltriazole has a molecular weight of 379.06 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-4-phenyltriazole is sourced from PubChem (CID 141406964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).