6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C9H5BrN4S — CID 2992238

IUPAC6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1ccccc1-c1nn2cnnc2s1
InChIInChI=1S/C9H5BrN4S/c10-7-4-2-1-3-6(7)8-13-14-5-11-12-9(14)15-8/h1-5H
InChIKeyOGZCBYBHDAQDQW-UHFFFAOYSA-N
MW281.14 g/mol
LogP2.62
Rot. Bonds1

About 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 2992238) has the molecular formula C9H5BrN4S and a molecular weight of 281.14 g/mol. Its IUPAC name is 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID2992238
Molecular FormulaC9H5BrN4S
Molecular Weight281.14 g/mol
Exact Mass279.94
IUPAC Name6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1ccccc1-c1nn2cnnc2s1
InChIInChI=1S/C9H5BrN4S/c10-7-4-2-1-3-6(7)8-13-14-5-11-12-9(14)15-8/h1-5H
InChIKeyOGZCBYBHDAQDQW-UHFFFAOYSA-N
XLogP2.62
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanol
CID 50850420
6-(2-bromophenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2991694
3-fluoro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 107795259
6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135657707
5-chloro-2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 82481344
4-methyl-2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 82474811
1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone
CID 50850496
6-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95910749
6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2989995
3-(1-benzofuran-2-yl)-6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 86206608
2-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401681
5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
CID 126478186

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 2992238) is 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Brc1ccccc1-c1nn2cnnc2s1.
What is the InChIKey of 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is OGZCBYBHDAQDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4S/c10-7-4-2-1-3-6(7)8-13-14-5-11-12-9(14)15-8/h1-5H.
What are the key properties of 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 281.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 2992238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).