1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole

C22H19N3O — CID 86086421

IUPAC1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole
SMILESCOc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-26-20-14-12-19(13-15-20)22-21(18-10-6-3-7-11-18)23-24-25(22)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyLYFSFWYNOJRPPG-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.67
Rot. Bonds5

About 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole

1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole (PubChem CID 86086421) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole
PubChem CID86086421
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole
SMILESCOc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-26-20-14-12-19(13-15-20)22-21(18-10-6-3-7-11-18)23-24-25(22)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyLYFSFWYNOJRPPG-UHFFFAOYSA-N
XLogP4.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole?
The IUPAC name of 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole (CID 86086421) is 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole?
The canonical SMILES for 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole is COc1ccc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole?
The InChIKey is LYFSFWYNOJRPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-20-14-12-19(13-15-20)22-21(18-10-6-3-7-11-18)23-24-25(22)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3.
What are the key properties of 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole?
1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole has a molecular weight of 341.41 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-methoxyphenyl)-4-phenyltriazole is sourced from PubChem (CID 86086421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).