2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C21H22N4O3 — CID 51345679

IUPAC2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(-c2cnn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-13-9-14(2)20(15(3)10-13)24-19(26)12-25-21(27)23-18(11-22-25)16-5-7-17(28-4)8-6-16/h5-11H,12H2,1-4H3,(H,24,26)
InChIKeyUCTYKDSCGPOAAF-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.88
Rot. Bonds5

About 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 51345679) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID51345679
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(-c2cnn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-13-9-14(2)20(15(3)10-13)24-19(26)12-25-21(27)23-18(11-22-25)16-5-7-17(28-4)8-6-16/h5-11H,12H2,1-4H3,(H,24,26)
InChIKeyUCTYKDSCGPOAAF-UHFFFAOYSA-N
XLogP2.88
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345676
N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048494
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345657
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345662
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 50752351
methyl 4-[[2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetyl]amino]benzoate
CID 51345629
5-(4-methoxyphenyl)-2-phenacyl-1,2,4-triazin-3-one
CID 23166249
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048341
2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 51345656
(2R)-2-[5-(3-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 94009933
(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 94009917
2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 16896885

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 51345679) is 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(-c2cnn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)n2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is UCTYKDSCGPOAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-9-14(2)20(15(3)10-13)24-19(26)12-25-21(27)23-18(11-22-25)16-5-7-17(28-4)8-6-16/h5-11H,12H2,1-4H3,(H,24,26).
What are the key properties of 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 51345679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).