[dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium

C10H15N6O+ — CID 11176439

IUPAC[dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium
SMILESCN(C)C(On1nnc2ncccc21)=[N+](C)C
InChIInChI=1S/C10H15N6O/c1-14(2)10(15(3)4)17-16-8-6-5-7-11-9(8)12-13-16/h5-7H,1-4H3/q+1
InChIKeyJOHPZEBQWLKEMZ-UHFFFAOYSA-N
MW235.27 g/mol
LogP-0.56
Rot. Bonds1

About [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium

[dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium (PubChem CID 11176439) has the molecular formula C10H15N6O+ and a molecular weight of 235.27 g/mol. Its IUPAC name is [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium
PubChem CID11176439
Molecular FormulaC10H15N6O+
Molecular Weight235.27 g/mol
Exact Mass235.13
IUPAC Name[dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium
SMILESCN(C)C(On1nnc2ncccc21)=[N+](C)C
InChIInChI=1S/C10H15N6O/c1-14(2)10(15(3)4)17-16-8-6-5-7-11-9(8)12-13-16/h5-7H,1-4H3/q+1
InChIKeyJOHPZEBQWLKEMZ-UHFFFAOYSA-N
XLogP-0.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-1-yloxy)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium (CID 11176439) is [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium is CN(C)C(On1nnc2ncccc21)=[N+](C)C.
What is the InChIKey of [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium?
The InChIKey is JOHPZEBQWLKEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N6O/c1-14(2)10(15(3)4)17-16-8-6-5-7-11-9(8)12-13-16/h5-7H,1-4H3/q+1.
What are the key properties of [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium?
[dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium has a molecular weight of 235.27 g/mol, XLogP of -0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(triazolo[4,5-b]pyridin-1-yloxy)methylidene]-dimethylazanium is sourced from PubChem (CID 11176439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).