4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide

C23H18N4O3 — CID 46149662

IUPAC4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H18N4O3/c28-21(24-18-12-6-2-7-13-18)20-22(29)26(16-17-10-4-1-5-11-17)23(30)27(25-20)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,28)
InChIKeyGLYDFFRSXCDJDH-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.69
Rot. Bonds5

About 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide

4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide (PubChem CID 46149662) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide
PubChem CID46149662
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H18N4O3/c28-21(24-18-12-6-2-7-13-18)20-22(29)26(16-17-10-4-1-5-11-17)23(30)27(25-20)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,28)
InChIKeyGLYDFFRSXCDJDH-UHFFFAOYSA-N
XLogP2.69
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
CID 46149606
2-(3-methylphenyl)-3,5-dioxo-N-phenyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 46004996
4-benzyl-N-(3-fluorophenyl)-3,5-dioxo-2-(4-propan-2-ylphenyl)-1,2,4-triazine-6-carboxamide
CID 42836189
4-benzyl-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159027
2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
CID 42835888
N-(3-fluorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835939
N-benzyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004374
N,4-dibenzyl-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 42836139
4-benzyl-3,5-dioxo-N-propan-2-yl-2-(4-propan-2-ylphenyl)-1,2,4-triazine-6-carboxamide
CID 46005482
N-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004863
4-benzyl-N-(2-methoxyethyl)-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004712
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
CID 42835694

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide (CID 46149662) is 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide?
The InChIKey is GLYDFFRSXCDJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-21(24-18-12-6-2-7-13-18)20-22(29)26(16-17-10-4-1-5-11-17)23(30)27(25-20)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,28).
What are the key properties of 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide?
4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46149662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).