6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-benzotriazole
Product Information
Molecular Formula
C12H16BN3O2
Molecular Weight
245.089
Description
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-benzotriazole (CAS# 1257651-13-0) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzotriazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzotriazole
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzotriazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NNN=C3C=C2
InChI
InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)8-5-6-9-10(7-8)15-16-14-9/h5-7H,1-4H3,(H,14,15,16)
InChI Key
QUYDCPHDUNQFKF-UHFFFAOYSA-N
Melting Point
142-146 °C
Flash Point
Not applicable
Purity
97 %
Storage
2-8 °C
LogP
1.25710
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
245.1335569 g/mol
Monoisotopic Mass
245.1335569 g/mol
Topological Polar Surface Area
60Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
321
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| CA-3120667-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| KR-20210092314-A | Triazolopyridin-3-one or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| US-11091479-B2 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| JP-2022511933-A | A pharmaceutical composition comprising triazolopyridine-3-one or a salt thereof and triazolopyridine-3-one or a salt thereof. | 2018-12-14 |
| US-2022024918-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| KR-20200083543-A | Diazaspiro ROCK inhibitor | 2017-11-03 |
| US-2021188848-A1 | Diazaspiro rock inhibitors | 2017-11-03 |
| US-11192891-B2 | Diazaspiro ROCK inhibitors | 2017-11-03 |
| WO-2019058132-A1 | HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF KINASE CDK12 | 2017-09-22 |
