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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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