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

C19H17FN4O3 — CID 53088755

IUPACN-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)n(C)c2=O)c1
InChIInChI=1S/C19H17FN4O3/c1-11-8-12(2)10-14(9-11)21-17(25)16-18(26)23(3)19(27)24(22-16)15-6-4-13(20)5-7-15/h4-10H,1-3H3,(H,21,25)
InChIKeyAPTWVMBXDBGBON-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.94
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 53088755) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID53088755
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)n(C)c2=O)c1
InChIInChI=1S/C19H17FN4O3/c1-11-8-12(2)10-14(9-11)21-17(25)16-18(26)23(3)19(27)24(22-16)15-6-4-13(20)5-7-15/h4-10H,1-3H3,(H,21,25)
InChIKeyAPTWVMBXDBGBON-UHFFFAOYSA-N
XLogP1.94
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088768
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578709
2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088667
N-butan-2-yl-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088701
4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578626
N-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004863
2-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46006147
1-(4-bromophenyl)-N-(3,5-dimethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108803882
methyl 2-[[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carbonyl]amino]benzoate
CID 22578644
1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557146
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 53088755) is N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is Cc1cc(C)cc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)n(C)c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is APTWVMBXDBGBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-11-8-12(2)10-14(9-11)21-17(25)16-18(26)23(3)19(27)24(22-16)15-6-4-13(20)5-7-15/h4-10H,1-3H3,(H,21,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 53088755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).