5-fluoro-4-phenyl-1-(2-phenylethyl)triazole

C16H14FN3 — CID 102310186

IUPAC5-fluoro-4-phenyl-1-(2-phenylethyl)triazole
SMILESFc1c(-c2ccccc2)nnn1CCc1ccccc1
InChIInChI=1S/C16H14FN3/c17-16-15(14-9-5-2-6-10-14)18-19-20(16)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyMHNMBIQQWNUFRM-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.33
Rot. Bonds4

About 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole

5-fluoro-4-phenyl-1-(2-phenylethyl)triazole (PubChem CID 102310186) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole.

Molecular Properties

Compound Name5-fluoro-4-phenyl-1-(2-phenylethyl)triazole
PubChem CID102310186
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name5-fluoro-4-phenyl-1-(2-phenylethyl)triazole
SMILESFc1c(-c2ccccc2)nnn1CCc1ccccc1
InChIInChI=1S/C16H14FN3/c17-16-15(14-9-5-2-6-10-14)18-19-20(16)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyMHNMBIQQWNUFRM-UHFFFAOYSA-N
XLogP3.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-4-phenyl-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 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole?
The IUPAC name of 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole (CID 102310186) is 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole.
What is the SMILES notation for 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole?
The canonical SMILES for 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole is Fc1c(-c2ccccc2)nnn1CCc1ccccc1.
What is the InChIKey of 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole?
The InChIKey is MHNMBIQQWNUFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-16-15(14-9-5-2-6-10-14)18-19-20(16)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole?
5-fluoro-4-phenyl-1-(2-phenylethyl)triazole has a molecular weight of 267.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-phenyl-1-(2-phenylethyl)triazole is sourced from PubChem (CID 102310186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).