1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole

C22H19N3O — CID 155528665

IUPAC1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole
SMILESCOc1cccc(-c2nc(-c3ccccc3)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C22H19N3O/c1-26-20-14-8-13-19(15-20)21-23-22(18-11-6-3-7-12-18)25(24-21)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3
InChIKeyPCALMCUVCORSKQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.67
Rot. Bonds5

About 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole

1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole (PubChem CID 155528665) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole
PubChem CID155528665
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole
SMILESCOc1cccc(-c2nc(-c3ccccc3)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C22H19N3O/c1-26-20-14-8-13-19(15-20)21-23-22(18-11-6-3-7-12-18)25(24-21)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3
InChIKeyPCALMCUVCORSKQ-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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Related Compounds

Diphenytriazol
CID 122000
4-benzyl-3-[(4-methoxybenzyl)thio]-5-phenyl-4H-1,2,4-triazole
CID 1327826
4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]methyl}-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1272711
L 10503
CID 100434
3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole
CID 61343280
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565
5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine;hydrochloride
CID 11431638
[5-(4-Methoxy-2-methyl-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-propyl-[1-(4-trifluoromethyl-phenyl)-propyl]-amine
CID 11442212
3-Cyclohexylmethyl-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole
CID 44379976
3-(3,4-Difluoro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole
CID 44380101
3-(2,3-Difluoro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole
CID 44380110
[5-(4-Methoxy-2-methyl-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-butyl)-propyl-amine
CID 44388393

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole (CID 155528665) is 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole is COc1cccc(-c2nc(-c3ccccc3)n(Cc3ccccc3)n2)c1.
What is the InChIKey of 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole?
The InChIKey is PCALMCUVCORSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-20-14-8-13-19(15-20)21-23-22(18-11-6-3-7-12-18)25(24-21)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3.
What are the key properties of 1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole?
1-benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole 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-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 155528665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).