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

C20H19FN4O3 — CID 46003920

IUPACN-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2C)c1=O
InChIInChI=1S/C20H19FN4O3/c1-3-22-18(26)17-19(27)24(12-14-9-5-4-8-13(14)2)20(28)25(23-17)16-11-7-6-10-15(16)21/h4-11H,3,12H2,1-2H3,(H,22,26)
InChIKeyYEFHLHFOZTXHJC-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.64
Rot. Bonds5

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

N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 46003920) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID46003920
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2C)c1=O
InChIInChI=1S/C20H19FN4O3/c1-3-22-18(26)17-19(27)24(12-14-9-5-4-8-13(14)2)20(28)25(23-17)16-11-7-6-10-15(16)21/h4-11H,3,12H2,1-2H3,(H,22,26)
InChIKeyYEFHLHFOZTXHJC-UHFFFAOYSA-N
XLogP1.64
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835689
N-ethyl-2-(3-methylphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005082
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
CID 42835694
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003806
2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46003850
N-ethyl-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46005652
4-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004416
N-[(2S)-butan-2-yl]-2-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 93158801
N-butan-2-yl-2-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46003853
4-benzyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46003772
4-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)-N-ethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004691
2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46006138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 46003920) is N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide is CCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2C)c1=O.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is YEFHLHFOZTXHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-3-22-18(26)17-19(27)24(12-14-9-5-4-8-13(14)2)20(28)25(23-17)16-11-7-6-10-15(16)21/h4-11H,3,12H2,1-2H3,(H,22,26).
What are the key properties of N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide?
N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46003920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).