[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate

C10H15F6N6P — CID 175718482

IUPAC[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C(n1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H15N6.F6P/c1-14(2)10(15(3)4)16-9-8(12-13-16)6-5-7-11-9;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
InChIKeyXOZSKDLJNXEFPO-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.25
Rot. Bonds

About [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate

[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate (PubChem CID 175718482) has the molecular formula C10H15F6N6P and a molecular weight of 364.23 g/mol. Its IUPAC name is [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate
PubChem CID175718482
Molecular FormulaC10H15F6N6P
Molecular Weight364.23 g/mol
Exact Mass364.10
IUPAC Name[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C(n1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H15N6.F6P/c1-14(2)10(15(3)4)16-9-8(12-13-16)6-5-7-11-9;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
InChIKeyXOZSKDLJNXEFPO-UHFFFAOYSA-N
XLogP3.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.25
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 [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate (CID 175718482) is [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate is CN(C)C(n1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate?
The InChIKey is XOZSKDLJNXEFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N6.F6P/c1-14(2)10(15(3)4)16-9-8(12-13-16)6-5-7-11-9;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1.
What are the key properties of [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate?
[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate has a molecular weight of 364.23 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 175718482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).