1-[ethoxy(phenyl)methyl]benzotriazole

C15H15N3O — CID 3729020

IUPAC1-[ethoxy(phenyl)methyl]benzotriazole
SMILESCCOC(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H15N3O/c1-2-19-15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16-17-18/h3-11,15H,2H2,1H3
InChIKeyPKTKOAGPIFVJDD-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.01
Rot. Bonds4

About 1-[ethoxy(phenyl)methyl]benzotriazole

1-[ethoxy(phenyl)methyl]benzotriazole (PubChem CID 3729020) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[ethoxy(phenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[ethoxy(phenyl)methyl]benzotriazole
PubChem CID3729020
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[ethoxy(phenyl)methyl]benzotriazole
SMILESCCOC(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H15N3O/c1-2-19-15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16-17-18/h3-11,15H,2H2,1H3
InChIKeyPKTKOAGPIFVJDD-UHFFFAOYSA-N
XLogP3.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[ethoxy(phenyl)methyl]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 1-[ethoxy(phenyl)methyl]benzotriazole?
The IUPAC name of 1-[ethoxy(phenyl)methyl]benzotriazole (CID 3729020) is 1-[ethoxy(phenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[ethoxy(phenyl)methyl]benzotriazole?
The canonical SMILES for 1-[ethoxy(phenyl)methyl]benzotriazole is CCOC(c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-[ethoxy(phenyl)methyl]benzotriazole?
The InChIKey is PKTKOAGPIFVJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-19-15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16-17-18/h3-11,15H,2H2,1H3.
What are the key properties of 1-[ethoxy(phenyl)methyl]benzotriazole?
1-[ethoxy(phenyl)methyl]benzotriazole has a molecular weight of 253.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(phenyl)methyl]benzotriazole is sourced from PubChem (CID 3729020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).