N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide

C19H18N4O2 — CID 53048273

IUPACN-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
SMILESCCc1cccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c1
InChIInChI=1S/C19H18N4O2/c1-2-14-7-6-10-16(11-14)21-18(24)13-23-19(25)22-17(12-20-23)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyCDWIQOBDYKLLDH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.51
Rot. Bonds5

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

N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide (PubChem CID 53048273) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
PubChem CID53048273
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
SMILESCCc1cccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c1
InChIInChI=1S/C19H18N4O2/c1-2-14-7-6-10-16(11-14)21-18(24)13-23-19(25)22-17(12-20-23)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyCDWIQOBDYKLLDH-UHFFFAOYSA-N
XLogP2.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048275
N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048494
2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50752386
N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048265
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 3647379
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048341
N-(3-ethylphenyl)-2-(5-oxo-11-phenyl-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl)acetamide
CID 56685204
N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345676
methyl 4-[[2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetyl]amino]benzoate
CID 51345629
2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 50752404
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 7819549
[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 38530845

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide (CID 53048273) is N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide is CCc1cccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is CDWIQOBDYKLLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-14-7-6-10-16(11-14)21-18(24)13-23-19(25)22-17(12-20-23)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H,21,24).
What are the key properties of N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide?
N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 53048273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).