[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate

C11H16F6N5OP — CID 2733084

IUPAC[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C(On1nnc2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C11H16N5O.F6P/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1
InChIKeyUQYZFNUUOSSNKT-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.43
Rot. Bonds1

About [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate

[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate (PubChem CID 2733084) has the molecular formula C11H16F6N5OP and a molecular weight of 379.25 g/mol. Its IUPAC name is [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
PubChem CID2733084
Molecular FormulaC11H16F6N5OP
Molecular Weight379.25 g/mol
Exact Mass379.10
IUPAC Name[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C(On1nnc2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C11H16N5O.F6P/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1
InChIKeyUQYZFNUUOSSNKT-UHFFFAOYSA-N
XLogP3.43
TPSA46.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate (CID 2733084) is [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate is CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate?
The InChIKey is UQYZFNUUOSSNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N5O.F6P/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1.
What are the key properties of [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate?
[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate has a molecular weight of 379.25 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 2733084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).