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

C20H20N4O3 — CID 51345676

IUPACN-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCOc1ccc(-c2cnn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-13-4-7-16(10-14(13)2)22-19(25)12-24-20(26)23-18(11-21-24)15-5-8-17(27-3)9-6-15/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyMSIXGCNKJWGXMS-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.57
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide (PubChem CID 51345676) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
PubChem CID51345676
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCOc1ccc(-c2cnn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-13-4-7-16(10-14(13)2)22-19(25)12-24-20(26)23-18(11-21-24)15-5-8-17(27-3)9-6-15/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyMSIXGCNKJWGXMS-UHFFFAOYSA-N
XLogP2.57
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048494
2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51345679
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345657
methyl 4-[[2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetyl]amino]benzoate
CID 51345629
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
5-(4-methoxyphenyl)-2-phenacyl-1,2,4-triazin-3-one
CID 23166249
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 49214142
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-(4-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048275
N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048273
N-(4-bromo-3-methylphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 50927031

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide (CID 51345676) is N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide is COc1ccc(-c2cnn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)n2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The InChIKey is MSIXGCNKJWGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-4-7-16(10-14(13)2)22-19(25)12-24-20(26)23-18(11-21-24)15-5-8-17(27-3)9-6-15/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide is sourced from PubChem (CID 51345676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).