4-[2-(2-phenylethyl)phenyl]-2H-triazole

C16H15N3 — CID 155530883

IUPAC4-[2-(2-phenylethyl)phenyl]-2H-triazole
SMILESc1ccc(CCc2ccccc2-c2cn[nH]n2)cc1
InChIInChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-14-8-4-5-9-15(14)16-12-17-19-18-16/h1-9,12H,10-11H2,(H,17,18,19)
InChIKeyMBDXJWMLJSOEGR-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.26
Rot. Bonds4

About 4-[2-(2-phenylethyl)phenyl]-2H-triazole

4-[2-(2-phenylethyl)phenyl]-2H-triazole (PubChem CID 155530883) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[2-(2-phenylethyl)phenyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(2-phenylethyl)phenyl]-2H-triazole
PubChem CID155530883
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-[2-(2-phenylethyl)phenyl]-2H-triazole
SMILESc1ccc(CCc2ccccc2-c2cn[nH]n2)cc1
InChIInChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-14-8-4-5-9-15(14)16-12-17-19-18-16/h1-9,12H,10-11H2,(H,17,18,19)
InChIKeyMBDXJWMLJSOEGR-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylethyl)phenyl]-2H-triazole?
The IUPAC name of 4-[2-(2-phenylethyl)phenyl]-2H-triazole (CID 155530883) is 4-[2-(2-phenylethyl)phenyl]-2H-triazole.
What is the SMILES notation for 4-[2-(2-phenylethyl)phenyl]-2H-triazole?
The canonical SMILES for 4-[2-(2-phenylethyl)phenyl]-2H-triazole is c1ccc(CCc2ccccc2-c2cn[nH]n2)cc1.
What is the InChIKey of 4-[2-(2-phenylethyl)phenyl]-2H-triazole?
The InChIKey is MBDXJWMLJSOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-14-8-4-5-9-15(14)16-12-17-19-18-16/h1-9,12H,10-11H2,(H,17,18,19).
What are the key properties of 4-[2-(2-phenylethyl)phenyl]-2H-triazole?
4-[2-(2-phenylethyl)phenyl]-2H-triazole has a molecular weight of 249.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylethyl)phenyl]-2H-triazole is sourced from PubChem (CID 155530883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).