dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate

C10H17F6N6OP — CID 162327826

IUPACdimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate
SMILESCN(C)[N+](C)(C)COn1nnc2cccnc21.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H17N6O.F6P/c1-14(2)16(3,4)8-17-15-10-9(12-13-15)6-5-7-11-10;1-7(2,3,4,5)6/h5-7H,8H2,1-4H3;/q+1;-1
InChIKeyXTWDDLWUOZYDCC-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.15
Rot. Bonds4

About dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate

dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate (PubChem CID 162327826) has the molecular formula C10H17F6N6OP and a molecular weight of 382.25 g/mol. Its IUPAC name is dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate.

Molecular Properties

Compound Namedimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate
PubChem CID162327826
Molecular FormulaC10H17F6N6OP
Molecular Weight382.25 g/mol
Exact Mass382.11
IUPAC Namedimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate
SMILESCN(C)[N+](C)(C)COn1nnc2cccnc21.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H17N6O.F6P/c1-14(2)16(3,4)8-17-15-10-9(12-13-15)6-5-7-11-10;1-7(2,3,4,5)6/h5-7H,8H2,1-4H3;/q+1;-1
InChIKeyXTWDDLWUOZYDCC-UHFFFAOYSA-N
XLogP3.15
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate
CID 141048536
[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate
CID 175718482
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;N-methylacetamide;hexafluorophosphate
CID 22667883
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;1-hydroxybenzotriazole;hexafluorophosphate
CID 174889398
triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
CID 175569203
3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine
CID 175666460
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
triazolo[4,5-b]pyridin-3-yl prop-2-enoate
CID 154003219
pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
CID 58602324
3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine
CID 117159368
bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
CID 163873045

Frequently Asked Questions

What is the IUPAC name of dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate?
The IUPAC name of dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate (CID 162327826) is dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate.
What is the SMILES notation for dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate?
The canonical SMILES for dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate is CN(C)[N+](C)(C)COn1nnc2cccnc21.F[P-](F)(F)(F)(F)F.
What is the InChIKey of dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate?
The InChIKey is XTWDDLWUOZYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N6O.F6P/c1-14(2)16(3,4)8-17-15-10-9(12-13-15)6-5-7-11-10;1-7(2,3,4,5)6/h5-7H,8H2,1-4H3;/q+1;-1.
What are the key properties of dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate?
dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate has a molecular weight of 382.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate is sourced from PubChem (CID 162327826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).