1-benzyl-5-(2-methylphenyl)-4-phenyltriazole

C22H19N3 — CID 101446629

IUPAC1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
SMILESCc1ccccc1-c1c(-c2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C22H19N3/c1-17-10-8-9-15-20(17)22-21(19-13-6-3-7-14-19)23-24-25(22)16-18-11-4-2-5-12-18/h2-15H,16H2,1H3
InChIKeyUKNZBGQRJHUIBR-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.97
Rot. Bonds4

About 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole

1-benzyl-5-(2-methylphenyl)-4-phenyltriazole (PubChem CID 101446629) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
PubChem CID101446629
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
SMILESCc1ccccc1-c1c(-c2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C22H19N3/c1-17-10-8-9-15-20(17)22-21(19-13-6-3-7-14-19)23-24-25(22)16-18-11-4-2-5-12-18/h2-15H,16H2,1H3
InChIKeyUKNZBGQRJHUIBR-UHFFFAOYSA-N
XLogP4.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
CID 102474946
1-benzyl-4-butyl-5-(2-methylphenyl)triazole
CID 102474944
1-[5-[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-3-methylindazol-1-yl]ethanone
CID 68720647
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
1-benzyl-7-(2-methylphenyl)benzotriazole
CID 177481285
[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane
CID 68990322
1-benzyl-5-chloro-4-(4-methylphenyl)triazole
CID 72701212
1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
CID 102583421
1-benzyl-4-ethyl-5-phenyltriazole
CID 123573557
4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 4985670
1-[(4-bromophenyl)methyl]-5-[3-[(4-bromophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]-4-(3-methylphenyl)triazole
CID 135059141
7-[1-benzyl-5-[3-benzyl-5-(4-methyl-2-oxochromen-7-yl)triazol-4-yl]triazol-4-yl]-4-methylchromen-2-one
CID 91133292

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole?
The IUPAC name of 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole (CID 101446629) is 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole?
The canonical SMILES for 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole is Cc1ccccc1-c1c(-c2ccccc2)nnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole?
The InChIKey is UKNZBGQRJHUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-17-10-8-9-15-20(17)22-21(19-13-6-3-7-14-19)23-24-25(22)16-18-11-4-2-5-12-18/h2-15H,16H2,1H3.
What are the key properties of 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole?
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole has a molecular weight of 325.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-methylphenyl)-4-phenyltriazole is sourced from PubChem (CID 101446629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).