2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide

C21H21FN4O4 — CID 93158841

IUPAC2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
SMILESCOCCNC(=O)c1nn(-c2ccccc2F)c(=O)n([C@H](C)c2ccccc2)c1=O
InChIInChI=1S/C21H21FN4O4/c1-14(15-8-4-3-5-9-15)25-20(28)18(19(27)23-12-13-30-2)24-26(21(25)29)17-11-7-6-10-16(17)22/h3-11,14H,12-13H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyOMBTXEQLCWJGBU-CQSZACIVSA-N
MW412.42 g/mol
LogP1.52
Rot. Bonds7

About 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide

2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide (PubChem CID 93158841) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
PubChem CID93158841
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
SMILESCOCCNC(=O)c1nn(-c2ccccc2F)c(=O)n([C@H](C)c2ccccc2)c1=O
InChIInChI=1S/C21H21FN4O4/c1-14(15-8-4-3-5-9-15)25-20(28)18(19(27)23-12-13-30-2)24-26(21(25)29)17-11-7-6-10-16(17)22/h3-11,14H,12-13H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyOMBTXEQLCWJGBU-CQSZACIVSA-N
XLogP1.52
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46003977
2-(2-fluorophenyl)-N-(2-methoxyethyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46003850
2-(3-fluoro-4-methylphenyl)-N-(2-methylpropyl)-3,5-dioxo-4-[(1S)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159780
N-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-methylphenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46005904
4-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 42835818
2-(4-chlorophenyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-N-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 93158985
4-benzyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46003772
2-(2-fluorophenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46003948
N-ethyl-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835689
2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93158827
N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46005908
2-(3-fluoro-4-methylphenyl)-3,5-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159802

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide (CID 93158841) is 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide is COCCNC(=O)c1nn(-c2ccccc2F)c(=O)n([C@H](C)c2ccccc2)c1=O.
What is the InChIKey of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide?
The InChIKey is OMBTXEQLCWJGBU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21FN4O4/c1-14(15-8-4-3-5-9-15)25-20(28)18(19(27)23-12-13-30-2)24-26(21(25)29)17-11-7-6-10-16(17)22/h3-11,14H,12-13H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide?
2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 93158841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).