trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate

C9H14F6N5P — CID 141048536

IUPACtrimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate
SMILESC[N+](C)(C)Cn1nnc2cccnc21.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H14N5.F6P/c1-14(2,3)7-13-9-8(11-12-13)5-4-6-10-9;1-7(2,3,4,5)6/h4-6H,7H2,1-3H3;/q+1;-1
InChIKeyAPQOPRCYWZTJLX-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.87
Rot. Bonds2

About trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate

trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate (PubChem CID 141048536) has the molecular formula C9H14F6N5P and a molecular weight of 337.21 g/mol. Its IUPAC name is trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate.

Molecular Properties

Compound Nametrimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate
PubChem CID141048536
Molecular FormulaC9H14F6N5P
Molecular Weight337.21 g/mol
Exact Mass337.09
IUPAC Nametrimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate
SMILESC[N+](C)(C)Cn1nnc2cccnc21.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H14N5.F6P/c1-14(2,3)7-13-9-8(11-12-13)5-4-6-10-9;1-7(2,3,4,5)6/h4-6H,7H2,1-3H3;/q+1;-1
InChIKeyAPQOPRCYWZTJLX-UHFFFAOYSA-N
XLogP3.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate
CID 162327826
3-[(4-chlorophenyl)methyl]triazolo[4,5-b]pyridine
CID 117159368
[dimethylamino(triazolo[4,5-b]pyridin-3-yl)methylidene]-dimethylazanium hexafluorophosphate
CID 175718482
4-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159296
3-(3-methylcyclobutyl)triazolo[4,5-b]pyridine
CID 168997176
3-(thian-3-ylmethyl)triazolo[4,5-b]pyridine
CID 117159338
3-(triazolo[4,5-b]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117159337
triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;N-methylacetamide;hexafluorophosphate
CID 22667883
3-[4-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridine
CID 13359275
2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid
CID 67201217

Frequently Asked Questions

What is the IUPAC name of trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate?
The IUPAC name of trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate (CID 141048536) is trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate.
What is the SMILES notation for trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate?
The canonical SMILES for trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate is C[N+](C)(C)Cn1nnc2cccnc21.F[P-](F)(F)(F)(F)F.
What is the InChIKey of trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate?
The InChIKey is APQOPRCYWZTJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N5.F6P/c1-14(2,3)7-13-9-8(11-12-13)5-4-6-10-9;1-7(2,3,4,5)6/h4-6H,7H2,1-3H3;/q+1;-1.
What are the key properties of trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate?
trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate has a molecular weight of 337.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(triazolo[4,5-b]pyridin-3-ylmethyl)azanium hexafluorophosphate is sourced from PubChem (CID 141048536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).