1-(4-methoxyphenyl)-4-phenyltriazole

C15H13N3O — CID 11196058

IUPAC1-(4-methoxyphenyl)-4-phenyltriazole
SMILESCOc1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3O/c1-19-14-9-7-13(8-10-14)18-11-15(16-17-18)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyUJPIEACGBIJOKH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-phenyltriazole

1-(4-methoxyphenyl)-4-phenyltriazole (PubChem CID 11196058) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-phenyltriazole
PubChem CID11196058
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-(4-methoxyphenyl)-4-phenyltriazole
SMILESCOc1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3O/c1-19-14-9-7-13(8-10-14)18-11-15(16-17-18)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyUJPIEACGBIJOKH-UHFFFAOYSA-N
XLogP2.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-phenyltriazole?
The IUPAC name of 1-(4-methoxyphenyl)-4-phenyltriazole (CID 11196058) is 1-(4-methoxyphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-phenyltriazole?
The canonical SMILES for 1-(4-methoxyphenyl)-4-phenyltriazole is COc1ccc(-n2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-phenyltriazole?
The InChIKey is UJPIEACGBIJOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-14-9-7-13(8-10-14)18-11-15(16-17-18)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-phenyltriazole?
1-(4-methoxyphenyl)-4-phenyltriazole has a molecular weight of 251.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-phenyltriazole is sourced from PubChem (CID 11196058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).