chempirical

N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate

C12H16BF4N5O2CAS 125700-69-8349.10 g/mol

Open in Covalent MOL file
B−FFFFNN+ONONN

Properties

Molecular formula
C12H16BF4N5O2
Molar mass
349.10 g/mol
Exact mass
349.1333 Da
logP
0.71Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
125700-69-8
SMILES
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)C2=CC=CC=C2N=N1
InChIKey
FOBCPCIJLQTYBT-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N5O2.BF4/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate

Work with N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-71-255 % similar Depbt165534-43-041 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-238 % similar 2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate105832-38-036 % similar Azinphos-methyl86-50-035 % similar O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate125700-67-634 % similar Azinphos-ethyl2642-71-934 % similar O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate105379-24-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook