N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide

C20H20N4O2 — CID 53048341

IUPACN-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O
InChIInChI=1S/C20H20N4O2/c1-3-15-6-4-5-7-17(15)22-19(25)13-24-20(26)23-18(12-21-24)16-10-8-14(2)9-11-16/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyGPQYPWKZDAFJMS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.81
Rot. Bonds5

About N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide

N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide (PubChem CID 53048341) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
PubChem CID53048341
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O
InChIInChI=1S/C20H20N4O2/c1-3-15-6-4-5-7-17(15)22-19(25)13-24-20(26)23-18(12-21-24)16-10-8-14(2)9-11-16/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyGPQYPWKZDAFJMS-UHFFFAOYSA-N
XLogP2.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 50752351
N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048265
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345662
2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 50752404
N-(4-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048275
methyl 4-[[2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetyl]amino]benzoate
CID 51345629
2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50752386
2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51345679
N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345676
2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55576311
2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylpropanamide
CID 50752258

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide (CID 53048341) is N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide is CCc1ccccc1NC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The InChIKey is GPQYPWKZDAFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-15-6-4-5-7-17(15)22-19(25)13-24-20(26)23-18(12-21-24)16-10-8-14(2)9-11-16/h4-12H,3,13H2,1-2H3,(H,22,25).
What are the key properties of N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide is sourced from PubChem (CID 53048341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).