1-(2-phenylethyl)triazole

C10H11N3 — CID 10583354

IUPAC1-(2-phenylethyl)triazole
SMILESc1ccc(CCn2ccnn2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-10(5-3-1)6-8-13-9-7-11-12-13/h1-5,7,9H,6,8H2
InChIKeyGCDVQIPVANUWJO-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.52
Rot. Bonds3

About 1-(2-phenylethyl)triazole

1-(2-phenylethyl)triazole (PubChem CID 10583354) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(2-phenylethyl)triazole.

Molecular Properties

Compound Name1-(2-phenylethyl)triazole
PubChem CID10583354
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-(2-phenylethyl)triazole
SMILESc1ccc(CCn2ccnn2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-10(5-3-1)6-8-13-9-7-11-12-13/h1-5,7,9H,6,8H2
InChIKeyGCDVQIPVANUWJO-UHFFFAOYSA-N
XLogP1.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 1-(2-phenylethyl)triazole?
The IUPAC name of 1-(2-phenylethyl)triazole (CID 10583354) is 1-(2-phenylethyl)triazole.
What is the SMILES notation for 1-(2-phenylethyl)triazole?
The canonical SMILES for 1-(2-phenylethyl)triazole is c1ccc(CCn2ccnn2)cc1.
What is the InChIKey of 1-(2-phenylethyl)triazole?
The InChIKey is GCDVQIPVANUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-10(5-3-1)6-8-13-9-7-11-12-13/h1-5,7,9H,6,8H2.
What are the key properties of 1-(2-phenylethyl)triazole?
1-(2-phenylethyl)triazole has a molecular weight of 173.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)triazole is sourced from PubChem (CID 10583354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).