2-(1-ethoxyethyl)benzotriazole

C10H13N3O — CID 3727107

IUPAC2-(1-ethoxyethyl)benzotriazole
SMILESCCOC(C)n1nc2ccccc2n1
InChIInChI=1S/C10H13N3O/c1-3-14-8(2)13-11-9-6-4-5-7-10(9)12-13/h4-8H,3H2,1-2H3
InChIKeyFPVGMMHEJIILGF-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.99
Rot. Bonds3

About 2-(1-ethoxyethyl)benzotriazole

2-(1-ethoxyethyl)benzotriazole (PubChem CID 3727107) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)benzotriazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)benzotriazole
PubChem CID3727107
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(1-ethoxyethyl)benzotriazole
SMILESCCOC(C)n1nc2ccccc2n1
InChIInChI=1S/C10H13N3O/c1-3-14-8(2)13-11-9-6-4-5-7-10(9)12-13/h4-8H,3H2,1-2H3
InChIKeyFPVGMMHEJIILGF-UHFFFAOYSA-N
XLogP1.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxyethyl)benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)benzotriazole?
The IUPAC name of 2-(1-ethoxyethyl)benzotriazole (CID 3727107) is 2-(1-ethoxyethyl)benzotriazole.
What is the SMILES notation for 2-(1-ethoxyethyl)benzotriazole?
The canonical SMILES for 2-(1-ethoxyethyl)benzotriazole is CCOC(C)n1nc2ccccc2n1.
What is the InChIKey of 2-(1-ethoxyethyl)benzotriazole?
The InChIKey is FPVGMMHEJIILGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-14-8(2)13-11-9-6-4-5-7-10(9)12-13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)benzotriazole?
2-(1-ethoxyethyl)benzotriazole has a molecular weight of 191.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)benzotriazole is sourced from PubChem (CID 3727107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).