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

C22H23FN4O3 — CID 46003977

IUPACN,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
SMILESCCN(CC)C(=O)c1nn(-c2ccccc2F)c(=O)n(C(C)c2ccccc2)c1=O
InChIInChI=1S/C22H23FN4O3/c1-4-25(5-2)20(28)19-21(29)26(15(3)16-11-7-6-8-12-16)22(30)27(24-19)18-14-10-9-13-17(18)23/h6-15H,4-5H2,1-3H3
InChIKeyOHFGXYDQWUJKRL-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.62
Rot. Bonds6

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

N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide (PubChem CID 46003977) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
PubChem CID46003977
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
SMILESCCN(CC)C(=O)c1nn(-c2ccccc2F)c(=O)n(C(C)c2ccccc2)c1=O
InChIInChI=1S/C22H23FN4O3/c1-4-25(5-2)20(28)19-21(29)26(15(3)16-11-7-6-8-12-16)22(30)27(24-19)18-14-10-9-13-17(18)23/h6-15H,4-5H2,1-3H3
InChIKeyOHFGXYDQWUJKRL-UHFFFAOYSA-N
XLogP2.62
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93158841
N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46005908
N-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-methylphenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide
CID 46005904
N,N-diethyl-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 42835825
2-(3-fluoro-4-methylphenyl)-N-(2-methylpropyl)-3,5-dioxo-4-[(1S)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159780
N-ethyl-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835689
4-benzyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46003772
2-(4-chlorophenyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-N-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 93158985
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-(2-fluorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46003920
2-[butan-2-yl-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]acetic acid
CID 119955090
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 N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide?
The IUPAC name of N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide (CID 46003977) is N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide is CCN(CC)C(=O)c1nn(-c2ccccc2F)c(=O)n(C(C)c2ccccc2)c1=O.
What is the InChIKey of N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide?
The InChIKey is OHFGXYDQWUJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-4-25(5-2)20(28)19-21(29)26(15(3)16-11-7-6-8-12-16)22(30)27(24-19)18-14-10-9-13-17(18)23/h6-15H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide?
N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-fluorophenyl)-3,5-dioxo-4-(1-phenylethyl)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46003977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).