5-benzyl-2H-benzotriazole

C13H11N3 — CID 10822301

IUPAC5-benzyl-2H-benzotriazole
SMILESc1ccc(Cc2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C13H11N3/c1-2-4-10(5-3-1)8-11-6-7-12-13(9-11)15-16-14-12/h1-7,9H,8H2,(H,14,15,16)
InChIKeyONSDAFNHEQAJES-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.55
Rot. Bonds2

About 5-benzyl-2H-benzotriazole

5-benzyl-2H-benzotriazole (PubChem CID 10822301) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-benzyl-2H-benzotriazole.

Molecular Properties

Compound Name5-benzyl-2H-benzotriazole
PubChem CID10822301
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name5-benzyl-2H-benzotriazole
SMILESc1ccc(Cc2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C13H11N3/c1-2-4-10(5-3-1)8-11-6-7-12-13(9-11)15-16-14-12/h1-7,9H,8H2,(H,14,15,16)
InChIKeyONSDAFNHEQAJES-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-2H-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 5-benzyl-2H-benzotriazole?
The IUPAC name of 5-benzyl-2H-benzotriazole (CID 10822301) is 5-benzyl-2H-benzotriazole.
What is the SMILES notation for 5-benzyl-2H-benzotriazole?
The canonical SMILES for 5-benzyl-2H-benzotriazole is c1ccc(Cc2ccc3n[nH]nc3c2)cc1.
What is the InChIKey of 5-benzyl-2H-benzotriazole?
The InChIKey is ONSDAFNHEQAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-4-10(5-3-1)8-11-6-7-12-13(9-11)15-16-14-12/h1-7,9H,8H2,(H,14,15,16).
What are the key properties of 5-benzyl-2H-benzotriazole?
5-benzyl-2H-benzotriazole has a molecular weight of 209.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2H-benzotriazole is sourced from PubChem (CID 10822301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).