1,4-bis(2-bromophenyl)triazole

C14H9Br2N3 — CID 102455877

IUPAC1,4-bis(2-bromophenyl)triazole
SMILESBrc1ccccc1-c1cn(-c2ccccc2Br)nn1
InChIInChI=1S/C14H9Br2N3/c15-11-6-2-1-5-10(11)13-9-19(18-17-13)14-8-4-3-7-12(14)16/h1-9H
InChIKeyYRSGMYYURVJOHK-UHFFFAOYSA-N
MW379.06 g/mol
LogP4.46
Rot. Bonds2

About 1,4-bis(2-bromophenyl)triazole

1,4-bis(2-bromophenyl)triazole (PubChem CID 102455877) has the molecular formula C14H9Br2N3 and a molecular weight of 379.06 g/mol. Its IUPAC name is 1,4-bis(2-bromophenyl)triazole.

Molecular Properties

Compound Name1,4-bis(2-bromophenyl)triazole
PubChem CID102455877
Molecular FormulaC14H9Br2N3
Molecular Weight379.06 g/mol
Exact Mass376.92
IUPAC Name1,4-bis(2-bromophenyl)triazole
SMILESBrc1ccccc1-c1cn(-c2ccccc2Br)nn1
InChIInChI=1S/C14H9Br2N3/c15-11-6-2-1-5-10(11)13-9-19(18-17-13)14-8-4-3-7-12(14)16/h1-9H
InChIKeyYRSGMYYURVJOHK-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-(2-bromophenyl)-1-(4-bromophenyl)triazole
CID 102455880
4-(1-bromoethyl)-1-(2-bromophenyl)triazole
CID 81445151
1-(2,5-dibromophenyl)-4-phenyltriazole
CID 141406964
N-[[1-(2-bromophenyl)triazol-4-yl]methyl]-3-fluoropropan-1-amine
CID 136543431
2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol
CID 175178239
21-chloro-8,9,10,22,23-pentazapentacyclo[17.3.1.18,11.02,7.012,17]tetracosa-1(23),2,4,6,9,11(24),12,14,16,19,21-undecaene
CID 118546660
5-bromo-3-(2-bromophenyl)pyridazine
CID 117107058
2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol
CID 122501213
4-[4-(2-bromophenyl)triazol-1-yl]sulfonylbenzonitrile
CID 164807046
1-(2-bromophenyl)-4,5-dideuteriotriazole
CID 162351547
1-(2-bromophenyl)-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]triazole
CID 171110820
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-bromophenyl)triazole?
The IUPAC name of 1,4-bis(2-bromophenyl)triazole (CID 102455877) is 1,4-bis(2-bromophenyl)triazole.
What is the SMILES notation for 1,4-bis(2-bromophenyl)triazole?
The canonical SMILES for 1,4-bis(2-bromophenyl)triazole is Brc1ccccc1-c1cn(-c2ccccc2Br)nn1.
What is the InChIKey of 1,4-bis(2-bromophenyl)triazole?
The InChIKey is YRSGMYYURVJOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3/c15-11-6-2-1-5-10(11)13-9-19(18-17-13)14-8-4-3-7-12(14)16/h1-9H.
What are the key properties of 1,4-bis(2-bromophenyl)triazole?
1,4-bis(2-bromophenyl)triazole 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 1,4-bis(2-bromophenyl)triazole is sourced from PubChem (CID 102455877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).