5-(2-methoxyphenyl)-1-phenyltriazole

C15H13N3O — CID 71451156

IUPAC5-(2-methoxyphenyl)-1-phenyltriazole
SMILESCOc1ccccc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C15H13N3O/c1-19-15-10-6-5-9-13(15)14-11-16-17-18(14)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyZZENWXHZMRLQMD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.94
Rot. Bonds3

About 5-(2-methoxyphenyl)-1-phenyltriazole

5-(2-methoxyphenyl)-1-phenyltriazole (PubChem CID 71451156) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1-phenyltriazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1-phenyltriazole
PubChem CID71451156
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-(2-methoxyphenyl)-1-phenyltriazole
SMILESCOc1ccccc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C15H13N3O/c1-19-15-10-6-5-9-13(15)14-11-16-17-18(14)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyZZENWXHZMRLQMD-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 5-(2-methoxyphenyl)-1-phenyltriazole?
The IUPAC name of 5-(2-methoxyphenyl)-1-phenyltriazole (CID 71451156) is 5-(2-methoxyphenyl)-1-phenyltriazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-1-phenyltriazole?
The canonical SMILES for 5-(2-methoxyphenyl)-1-phenyltriazole is COc1ccccc1-c1cnnn1-c1ccccc1.
What is the InChIKey of 5-(2-methoxyphenyl)-1-phenyltriazole?
The InChIKey is ZZENWXHZMRLQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-15-10-6-5-9-13(15)14-11-16-17-18(14)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 5-(2-methoxyphenyl)-1-phenyltriazole?
5-(2-methoxyphenyl)-1-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 5-(2-methoxyphenyl)-1-phenyltriazole is sourced from PubChem (CID 71451156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).