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

C17H12F2N4O3 — CID 53088768

IUPACN-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2cccc(F)c2)nn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H12F2N4O3/c1-22-16(25)14(15(24)20-12-4-2-3-11(19)9-12)21-23(17(22)26)13-7-5-10(18)6-8-13/h2-9H,1H3,(H,20,24)
InChIKeyWYYKFYWALNSQFS-UHFFFAOYSA-N
MW358.30 g/mol
LogP1.46
Rot. Bonds3

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

N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 53088768) has the molecular formula C17H12F2N4O3 and a molecular weight of 358.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID53088768
Molecular FormulaC17H12F2N4O3
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC NameN-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2cccc(F)c2)nn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H12F2N4O3/c1-22-16(25)14(15(24)20-12-4-2-3-11(19)9-12)21-23(17(22)26)13-7-5-10(18)6-8-13/h2-9H,1H3,(H,20,24)
InChIKeyWYYKFYWALNSQFS-UHFFFAOYSA-N
XLogP1.46
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088755
N-(3-fluorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835939
2-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
CID 46149606
4-benzyl-N-(3-fluorophenyl)-3,5-dioxo-2-(4-propan-2-ylphenyl)-1,2,4-triazine-6-carboxamide
CID 42836189
N-(3-fluorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836077
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
N-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004863
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
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915450
2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836281
4-methyl-2-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578626

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 53088768) is N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is Cn1c(=O)c(C(=O)Nc2cccc(F)c2)nn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is WYYKFYWALNSQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3/c1-22-16(25)14(15(24)20-12-4-2-3-11(19)9-12)21-23(17(22)26)13-7-5-10(18)6-8-13/h2-9H,1H3,(H,20,24).
What are the key properties of N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 358.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 53088768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).