4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione

C21H20N4O4 — CID 46004301

IUPAC4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione
SMILESO=C(c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O)N1CCOCC1
InChIInChI=1S/C21H20N4O4/c26-19(23-11-13-29-14-12-23)18-20(27)24(15-16-7-3-1-4-8-16)21(28)25(22-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyOFJHNLRIFSAHSY-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.91
Rot. Bonds4

About 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione

4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione (PubChem CID 46004301) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione
PubChem CID46004301
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione
SMILESO=C(c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O)N1CCOCC1
InChIInChI=1S/C21H20N4O4/c26-19(23-11-13-29-14-12-23)18-20(27)24(15-16-7-3-1-4-8-16)21(28)25(22-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyOFJHNLRIFSAHSY-UHFFFAOYSA-N
XLogP0.91
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-chlorophenyl)methyl]-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione
CID 46004409
4-[(3-chlorophenyl)methyl]-2-(4-methoxyphenyl)-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 46005216
2-(3-methylphenyl)-6-(morpholine-4-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione
CID 46005136
6-(4-acetylpiperazine-1-carbonyl)-4-[(2-chlorophenyl)methyl]-2-phenyl-1,2,4-triazine-3,5-dione
CID 46004511
2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 42836241
2-(3-chloro-4-methylphenyl)-4-[(2-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 42836400
4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide
CID 46149662
4-[(2-fluorophenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione
CID 42835826
4-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-1,2,4-triazine-3,5-dione
CID 42835923
ethyl 1-[4-benzyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
CID 46004732
6-(4-acetylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
CID 42835800
4-[(4-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
CID 42836208

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione (CID 46004301) is 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione is O=C(c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O)N1CCOCC1.
What is the InChIKey of 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione?
The InChIKey is OFJHNLRIFSAHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-19(23-11-13-29-14-12-23)18-20(27)24(15-16-7-3-1-4-8-16)21(28)25(22-18)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione?
4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione has a molecular weight of 392.42 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-(morpholine-4-carbonyl)-2-phenyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 46004301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).