benzyl 2-(benzotriazol-1-yl)acetate

C15H13N3O2 — CID 854230

IUPACbenzyl 2-(benzotriazol-1-yl)acetate
SMILESO=C(Cn1nnc2ccccc21)OCc1ccccc1
InChIInChI=1S/C15H13N3O2/c19-15(20-11-12-6-2-1-3-7-12)10-18-14-9-5-4-8-13(14)16-17-18/h1-9H,10-11H2
InChIKeyIDLOUDWACMTICS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.17
Rot. Bonds4

About benzyl 2-(benzotriazol-1-yl)acetate

benzyl 2-(benzotriazol-1-yl)acetate (PubChem CID 854230) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is benzyl 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(benzotriazol-1-yl)acetate
PubChem CID854230
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namebenzyl 2-(benzotriazol-1-yl)acetate
SMILESO=C(Cn1nnc2ccccc21)OCc1ccccc1
InChIInChI=1S/C15H13N3O2/c19-15(20-11-12-6-2-1-3-7-12)10-18-14-9-5-4-8-13(14)16-17-18/h1-9H,10-11H2
InChIKeyIDLOUDWACMTICS-UHFFFAOYSA-N
XLogP2.17
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 2-(benzotriazol-1-yl)acetate 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 benzyl 2-(benzotriazol-1-yl)acetate?
The IUPAC name of benzyl 2-(benzotriazol-1-yl)acetate (CID 854230) is benzyl 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for benzyl 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for benzyl 2-(benzotriazol-1-yl)acetate is O=C(Cn1nnc2ccccc21)OCc1ccccc1.
What is the InChIKey of benzyl 2-(benzotriazol-1-yl)acetate?
The InChIKey is IDLOUDWACMTICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20-11-12-6-2-1-3-7-12)10-18-14-9-5-4-8-13(14)16-17-18/h1-9H,10-11H2.
What are the key properties of benzyl 2-(benzotriazol-1-yl)acetate?
benzyl 2-(benzotriazol-1-yl)acetate has a molecular weight of 267.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 854230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).