[benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium

C15H24N5O+ — CID 11561134

IUPAC[benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium
SMILESCCN(CC)C(On1nnc2ccccc21)=[N+](CC)CC
InChIInChI=1S/C15H24N5O/c1-5-18(6-2)15(19(7-3)8-4)21-20-14-12-10-9-11-13(14)16-17-20/h9-12H,5-8H2,1-4H3/q+1
InChIKeyGSUMUDXXTJDOTJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.61
Rot. Bonds5

About [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium

[benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium (PubChem CID 11561134) has the molecular formula C15H24N5O+ and a molecular weight of 290.39 g/mol. Its IUPAC name is [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium.

Molecular Properties

Compound Name[benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium
PubChem CID11561134
Molecular FormulaC15H24N5O+
Molecular Weight290.39 g/mol
Exact Mass290.20
IUPAC Name[benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium
SMILESCCN(CC)C(On1nnc2ccccc21)=[N+](CC)CC
InChIInChI=1S/C15H24N5O/c1-5-18(6-2)15(19(7-3)8-4)21-20-14-12-10-9-11-13(14)16-17-20/h9-12H,5-8H2,1-4H3/q+1
InChIKeyGSUMUDXXTJDOTJ-UHFFFAOYSA-N
XLogP1.61
TPSA46.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.61
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 [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium?
The IUPAC name of [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium (CID 11561134) is [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium.
What is the SMILES notation for [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium?
The canonical SMILES for [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium is CCN(CC)C(On1nnc2ccccc21)=[N+](CC)CC.
What is the InChIKey of [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium?
The InChIKey is GSUMUDXXTJDOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N5O/c1-5-18(6-2)15(19(7-3)8-4)21-20-14-12-10-9-11-13(14)16-17-20/h9-12H,5-8H2,1-4H3/q+1.
What are the key properties of [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium?
[benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium has a molecular weight of 290.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzotriazol-1-yloxy(diethylamino)methylidene]-diethylazanium is sourced from PubChem (CID 11561134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).