4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole

C15H15N3S — CID 134968307

IUPAC4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole
SMILESCC(C)(c1cccs1)n1ncc(-c2ccccc2)n1
InChIInChI=1S/C15H15N3S/c1-15(2,14-9-6-10-19-14)18-16-11-13(17-18)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyJVRJKUDSQFEEDI-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.79
Rot. Bonds3

About 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole

4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole (PubChem CID 134968307) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole.

Molecular Properties

Compound Name4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole
PubChem CID134968307
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole
SMILESCC(C)(c1cccs1)n1ncc(-c2ccccc2)n1
InChIInChI=1S/C15H15N3S/c1-15(2,14-9-6-10-19-14)18-16-11-13(17-18)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyJVRJKUDSQFEEDI-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole?
The IUPAC name of 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole (CID 134968307) is 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole.
What is the SMILES notation for 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole?
The canonical SMILES for 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole is CC(C)(c1cccs1)n1ncc(-c2ccccc2)n1.
What is the InChIKey of 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole?
The InChIKey is JVRJKUDSQFEEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-15(2,14-9-6-10-19-14)18-16-11-13(17-18)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole?
4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole has a molecular weight of 269.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-thiophen-2-ylpropan-2-yl)triazole is sourced from PubChem (CID 134968307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).