4-(phenoxymethyl)-1-(2-phenylethyl)triazole

C17H17N3O — CID 71456536

IUPAC4-(phenoxymethyl)-1-(2-phenylethyl)triazole
SMILESc1ccc(CCn2cc(COc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N3O/c1-3-7-15(8-4-1)11-12-20-13-16(18-19-20)14-21-17-9-5-2-6-10-17/h1-10,13H,11-12,14H2
InChIKeyFDUBBECTRUQTCE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.10
Rot. Bonds6

About 4-(phenoxymethyl)-1-(2-phenylethyl)triazole

4-(phenoxymethyl)-1-(2-phenylethyl)triazole (PubChem CID 71456536) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(phenoxymethyl)-1-(2-phenylethyl)triazole.

Molecular Properties

Compound Name4-(phenoxymethyl)-1-(2-phenylethyl)triazole
PubChem CID71456536
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(phenoxymethyl)-1-(2-phenylethyl)triazole
SMILESc1ccc(CCn2cc(COc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N3O/c1-3-7-15(8-4-1)11-12-20-13-16(18-19-20)14-21-17-9-5-2-6-10-17/h1-10,13H,11-12,14H2
InChIKeyFDUBBECTRUQTCE-UHFFFAOYSA-N
XLogP3.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(phenoxymethyl)-1-(2-phenylethyl)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 4-(phenoxymethyl)-1-(2-phenylethyl)triazole?
The IUPAC name of 4-(phenoxymethyl)-1-(2-phenylethyl)triazole (CID 71456536) is 4-(phenoxymethyl)-1-(2-phenylethyl)triazole.
What is the SMILES notation for 4-(phenoxymethyl)-1-(2-phenylethyl)triazole?
The canonical SMILES for 4-(phenoxymethyl)-1-(2-phenylethyl)triazole is c1ccc(CCn2cc(COc3ccccc3)nn2)cc1.
What is the InChIKey of 4-(phenoxymethyl)-1-(2-phenylethyl)triazole?
The InChIKey is FDUBBECTRUQTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-7-15(8-4-1)11-12-20-13-16(18-19-20)14-21-17-9-5-2-6-10-17/h1-10,13H,11-12,14H2.
What are the key properties of 4-(phenoxymethyl)-1-(2-phenylethyl)triazole?
4-(phenoxymethyl)-1-(2-phenylethyl)triazole has a molecular weight of 279.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-1-(2-phenylethyl)triazole is sourced from PubChem (CID 71456536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).