2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C25H24N4O — CID 995138

IUPAC2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(C)c1
InChIInChI=1S/C25H24N4O/c1-17-14-18(2)23(19(3)15-17)26-22(30)16-29-25(21-12-8-5-9-13-21)27-24(28-29)20-10-6-4-7-11-20/h4-15H,16H2,1-3H3,(H,26,30)
InChIKeyJWZSAZFKAQSKJD-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.18
Rot. Bonds5

About 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 995138) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID995138
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(C)c1
InChIInChI=1S/C25H24N4O/c1-17-14-18(2)23(19(3)15-17)26-22(30)16-29-25(21-12-8-5-9-13-21)27-24(28-29)20-10-6-4-7-11-20/h4-15H,16H2,1-3H3,(H,26,30)
InChIKeyJWZSAZFKAQSKJD-UHFFFAOYSA-N
XLogP5.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2082741
N-(2,3-dimethylphenyl)-1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide
CID 2457944
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346173
3-[4-cyclopropyl-5-[4-(2-methylpropyl)phenyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
CID 121346230
1-(4-Methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473223
N-(2,5-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 995141
N-(2,4-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 995142
N-(2,6-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 1147433
N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2451137
1-acetyl-N-[4-(dimethylamino)benzyl]-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2974667
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4835789
N-(3,5-dimethylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990151

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 995138) is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(C)c1.
What is the InChIKey of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JWZSAZFKAQSKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-17-14-18(2)23(19(3)15-17)26-22(30)16-29-25(21-12-8-5-9-13-21)27-24(28-29)20-10-6-4-7-11-20/h4-15H,16H2,1-3H3,(H,26,30).
What are the key properties of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 995138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).