2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide

C21H22N4O2 — CID 90542404

IUPAC2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C3CC3)n(-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C21H22N4O2/c1-14-8-11-18(15(2)12-14)22-19(26)13-24-21(27)25(17-6-4-3-5-7-17)20(23-24)16-9-10-16/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,22,26)
InChIKeyVOQHBAMEOSJODQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.17
Rot. Bonds5

About 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide

2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 90542404) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID90542404
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C3CC3)n(-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C21H22N4O2/c1-14-8-11-18(15(2)12-14)22-19(26)13-24-21(27)25(17-6-4-3-5-7-17)20(23-24)16-9-10-16/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,22,26)
InChIKeyVOQHBAMEOSJODQ-UHFFFAOYSA-N
XLogP3.17
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 90542463
N-(4-acetamidophenyl)-2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetamide
CID 90542476
2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 90542479
1-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 90542072
N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 90542299
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide
CID 46618902
1-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-3-propan-2-ylurea
CID 90542092
N-(2-bromo-4-methylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 35985260
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 90542842
N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 90542053
methyl 7-cyclopropyl-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250817

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide (CID 90542404) is 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C3CC3)n(-c3ccccc3)c2=O)c(C)c1.
What is the InChIKey of 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is VOQHBAMEOSJODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-8-11-18(15(2)12-14)22-19(26)13-24-21(27)25(17-6-4-3-5-7-17)20(23-24)16-9-10-16/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,22,26).
What are the key properties of 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 90542404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).