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

C16H15N3 — CID 50852631

IUPAC4-phenyl-1-(2-phenylethyl)triazole
SMILESc1ccc(CCn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-3-7-14(8-4-1)11-12-19-13-16(17-18-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyMKMCNZRTIHGUDX-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.19
Rot. Bonds4

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

4-phenyl-1-(2-phenylethyl)triazole (PubChem CID 50852631) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-phenyl-1-(2-phenylethyl)triazole.

Molecular Properties

Compound Name4-phenyl-1-(2-phenylethyl)triazole
PubChem CID50852631
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-phenyl-1-(2-phenylethyl)triazole
SMILESc1ccc(CCn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-3-7-14(8-4-1)11-12-19-13-16(17-18-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyMKMCNZRTIHGUDX-UHFFFAOYSA-N
XLogP3.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-phenylethyl)triazole?
The IUPAC name of 4-phenyl-1-(2-phenylethyl)triazole (CID 50852631) is 4-phenyl-1-(2-phenylethyl)triazole.
What is the SMILES notation for 4-phenyl-1-(2-phenylethyl)triazole?
The canonical SMILES for 4-phenyl-1-(2-phenylethyl)triazole is c1ccc(CCn2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 4-phenyl-1-(2-phenylethyl)triazole?
The InChIKey is MKMCNZRTIHGUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-3-7-14(8-4-1)11-12-19-13-16(17-18-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2.
What are the key properties of 4-phenyl-1-(2-phenylethyl)triazole?
4-phenyl-1-(2-phenylethyl)triazole has a molecular weight of 249.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-phenylethyl)triazole is sourced from PubChem (CID 50852631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).