1-benzyl-4-(naphthalen-2-yloxymethyl)triazole

C20H17N3O — CID 134133360

IUPAC1-benzyl-4-(naphthalen-2-yloxymethyl)triazole
SMILESc1ccc(Cn2cc(COc3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C20H17N3O/c1-2-6-16(7-3-1)13-23-14-19(21-22-23)15-24-20-11-10-17-8-4-5-9-18(17)12-20/h1-12,14H,13,15H2
InChIKeyRSJNQJFHKGGWEM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.06
Rot. Bonds5

About 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole

1-benzyl-4-(naphthalen-2-yloxymethyl)triazole (PubChem CID 134133360) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole.

Molecular Properties

Compound Name1-benzyl-4-(naphthalen-2-yloxymethyl)triazole
PubChem CID134133360
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-benzyl-4-(naphthalen-2-yloxymethyl)triazole
SMILESc1ccc(Cn2cc(COc3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C20H17N3O/c1-2-6-16(7-3-1)13-23-14-19(21-22-23)15-24-20-11-10-17-8-4-5-9-18(17)12-20/h1-12,14H,13,15H2
InChIKeyRSJNQJFHKGGWEM-UHFFFAOYSA-N
XLogP4.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole 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-benzyl-4-(naphthalen-2-yloxymethyl)triazole?
The IUPAC name of 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole (CID 134133360) is 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole.
What is the SMILES notation for 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole?
The canonical SMILES for 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole is c1ccc(Cn2cc(COc3ccc4ccccc4c3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole?
The InChIKey is RSJNQJFHKGGWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-6-16(7-3-1)13-23-14-19(21-22-23)15-24-20-11-10-17-8-4-5-9-18(17)12-20/h1-12,14H,13,15H2.
What are the key properties of 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole?
1-benzyl-4-(naphthalen-2-yloxymethyl)triazole has a molecular weight of 315.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(naphthalen-2-yloxymethyl)triazole is sourced from PubChem (CID 134133360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).