1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole

C18H19N3 — CID 154939480

IUPAC1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole
SMILESC/C=C(\c1ccccc1C(C)C)n1nnc2ccccc21
InChIInChI=1S/C18H19N3/c1-4-17(15-10-6-5-9-14(15)13(2)3)21-18-12-8-7-11-16(18)19-20-21/h4-13H,1-3H3/b17-4+
InChIKeyWTRABTREHLKKLN-HAVNEIBRSA-N
MW277.37 g/mol
LogP4.46
Rot. Bonds3

About 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole

1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole (PubChem CID 154939480) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole.

Molecular Properties

Compound Name1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole
PubChem CID154939480
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole
SMILESC/C=C(\c1ccccc1C(C)C)n1nnc2ccccc21
InChIInChI=1S/C18H19N3/c1-4-17(15-10-6-5-9-14(15)13(2)3)21-18-12-8-7-11-16(18)19-20-21/h4-13H,1-3H3/b17-4+
InChIKeyWTRABTREHLKKLN-HAVNEIBRSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]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-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole?
The IUPAC name of 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole (CID 154939480) is 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole.
What is the SMILES notation for 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole?
The canonical SMILES for 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole is C/C=C(\c1ccccc1C(C)C)n1nnc2ccccc21.
What is the InChIKey of 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole?
The InChIKey is WTRABTREHLKKLN-HAVNEIBRSA-N. The full InChI is InChI=1S/C18H19N3/c1-4-17(15-10-6-5-9-14(15)13(2)3)21-18-12-8-7-11-16(18)19-20-21/h4-13H,1-3H3/b17-4+.
What are the key properties of 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole?
1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole has a molecular weight of 277.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole is sourced from PubChem (CID 154939480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).