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

C19H18N4O2 — CID 53048265

IUPACN-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c1C
InChIInChI=1S/C19H18N4O2/c1-13-7-6-10-16(14(13)2)21-18(24)12-23-19(25)22-17(11-20-23)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyUTKWPXRJGPGLPD-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.56
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide (PubChem CID 53048265) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
PubChem CID53048265
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c1C
InChIInChI=1S/C19H18N4O2/c1-13-7-6-10-16(14(13)2)21-18(24)12-23-19(25)22-17(11-20-23)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyUTKWPXRJGPGLPD-UHFFFAOYSA-N
XLogP2.56
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048341
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 50752351
2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50752386
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-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
3-[2-(2,3-dimethylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82194727
N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048494
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51345679
methyl 4-[[2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetyl]amino]benzoate
CID 51345629

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide (CID 53048265) is N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide is Cc1cccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is UTKWPXRJGPGLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-7-6-10-16(14(13)2)21-18(24)12-23-19(25)22-17(11-20-23)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 53048265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).