N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide

C20H20N4O3 — CID 22578709

IUPACN-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-12-5-8-15(9-6-12)24-20(27)23(4)19(26)17(22-24)18(25)21-16-10-7-13(2)11-14(16)3/h5-11H,1-4H3,(H,21,25)
InChIKeyHFJNIUWMVSBCIO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.11
Rot. Bonds3

About N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide

N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 22578709) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID22578709
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-12-5-8-15(9-6-12)24-20(27)23(4)19(26)17(22-24)18(25)21-16-10-7-13(2)11-14(16)3/h5-11H,1-4H3,(H,21,25)
InChIKeyHFJNIUWMVSBCIO-UHFFFAOYSA-N
XLogP2.11
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

methyl 2-[[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carbonyl]amino]benzoate
CID 22578644
4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578626
N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088755
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088667
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557166
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
4-methyl-2-(4-methylphenyl)-3,5-dioxo-N-(thiophen-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 22578664
N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088768
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008445
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 22578709) is N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is HFJNIUWMVSBCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-5-8-15(9-6-12)24-20(27)23(4)19(26)17(22-24)18(25)21-16-10-7-13(2)11-14(16)3/h5-11H,1-4H3,(H,21,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 22578709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).