argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium

C11H16ArN5O+ — CID 18622589

IUPACargon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(On1nnc2ccccc21)=[N+](C)C.[Ar]
InChIInChI=1S/C11H16N5O.Ar/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;/h5-8H,1-4H3;/q+1;
InChIKeyKSPNXIMFWKUWFR-UHFFFAOYSA-N
MW274.23 g/mol
LogP0.05
Rot. Bonds1

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

argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium (PubChem CID 18622589) has the molecular formula C11H16ArN5O+ and a molecular weight of 274.23 g/mol. Its IUPAC name is argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Nameargon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium
PubChem CID18622589
Molecular FormulaC11H16ArN5O+
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Nameargon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(On1nnc2ccccc21)=[N+](C)C.[Ar]
InChIInChI=1S/C11H16N5O.Ar/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;/h5-8H,1-4H3;/q+1;
InChIKeyKSPNXIMFWKUWFR-UHFFFAOYSA-N
XLogP0.05
TPSA46.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 50.05
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium (CID 18622589) is argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium is CN(C)C(On1nnc2ccccc21)=[N+](C)C.[Ar].
What is the InChIKey of argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is KSPNXIMFWKUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N5O.Ar/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;/h5-8H,1-4H3;/q+1;.
What are the key properties of argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium?
argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 274.23 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for argon;[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 18622589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).