1-(naphthalen-1-ylmethyl)benzotriazole

C17H13N3 — CID 775930

IUPAC1-(naphthalen-1-ylmethyl)benzotriazole
SMILESc1ccc2c(Cn3nnc4ccccc43)cccc2c1
InChIInChI=1S/C17H13N3/c1-2-9-15-13(6-1)7-5-8-14(15)12-20-17-11-4-3-10-16(17)18-19-20/h1-11H,12H2
InChIKeyLOQCVBOYUTXZHQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.63
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)benzotriazole

1-(naphthalen-1-ylmethyl)benzotriazole (PubChem CID 775930) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)benzotriazole
PubChem CID775930
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name1-(naphthalen-1-ylmethyl)benzotriazole
SMILESc1ccc2c(Cn3nnc4ccccc43)cccc2c1
InChIInChI=1S/C17H13N3/c1-2-9-15-13(6-1)7-5-8-14(15)12-20-17-11-4-3-10-16(17)18-19-20/h1-11H,12H2
InChIKeyLOQCVBOYUTXZHQ-UHFFFAOYSA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(naphthalen-1-ylmethyl)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-(naphthalen-1-ylmethyl)benzotriazole?
The IUPAC name of 1-(naphthalen-1-ylmethyl)benzotriazole (CID 775930) is 1-(naphthalen-1-ylmethyl)benzotriazole.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)benzotriazole?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)benzotriazole is c1ccc2c(Cn3nnc4ccccc43)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)benzotriazole?
The InChIKey is LOQCVBOYUTXZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-2-9-15-13(6-1)7-5-8-14(15)12-20-17-11-4-3-10-16(17)18-19-20/h1-11H,12H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)benzotriazole?
1-(naphthalen-1-ylmethyl)benzotriazole has a molecular weight of 259.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)benzotriazole is sourced from PubChem (CID 775930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).