N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide

C23H22N6O4 — CID 70695838

IUPACN-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide
SMILESCC(=O)N1N=C2N(N=C(Cc3ccccc3)C(=O)N2N(C(C)=O)C(C)=O)C1c1ccccc1
InChIInChI=1S/C23H22N6O4/c1-15(30)26-21(19-12-8-5-9-13-19)27-23(25-26)29(28(16(2)31)17(3)32)22(33)20(24-27)14-18-10-6-4-7-11-18/h4-13,21H,14H2,1-3H3
InChIKeyRPSOUVHBNHLMGM-UHFFFAOYSA-N
MW446.47 g/mol
LogP1.87
Rot. Bonds4

About N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide

N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide (PubChem CID 70695838) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide
PubChem CID70695838
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC NameN-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide
SMILESCC(=O)N1N=C2N(N=C(Cc3ccccc3)C(=O)N2N(C(C)=O)C(C)=O)C1c1ccccc1
InChIInChI=1S/C23H22N6O4/c1-15(30)26-21(19-12-8-5-9-13-19)27-23(25-26)29(28(16(2)31)17(3)32)22(33)20(24-27)14-18-10-6-4-7-11-18/h4-13,21H,14H2,1-3H3
InChIKeyRPSOUVHBNHLMGM-UHFFFAOYSA-N
XLogP1.87
TPSA105.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide with MolForge

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Related Compounds

N-[2-acetyl-6-benzyl-3-methyl-3-(4-methylphenyl)-7-oxo-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl]acetamide
CID 70681103
N-(2-acetyl-6-benzyl-3-methyl-7-oxo-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide
CID 70689513
3-methyl-5-phenyl-1-(3-phenylpropanoyl)-4,5-dihydro-1H-pyrazole
CID 2992078
1-(5-Methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone
CID 2925971
2,4-Bisbenzyl-6-methyl-1,2,4-triazine-3,5-dione
CID 3991796
4-Benzyl-1-methyl-3-{1-[2-(3-methylphenyl)acetyl]piperidin-3-YL}-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 124041261
4-Benzyl-1-methyl-3-[1-(2-phenylacetyl)piperidin-3-YL]-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 124041264
4-benzyl-5-[(2S)-1-(2-cyclohexylacetyl)pyrrolidin-2-yl]-2-methyl-1,2,4-triazol-3-one
CID 164633993
2,4-Dibenzyl-6-(3-fluorophenyl)-1,2,4-triazine-3,5-dione
CID 171781817
2,4-Dibenzyl-6-(4-fluorophenyl)-1,2,4-triazine-3,5-dione
CID 171781829
2-Benzyl-4-[(4-fluorophenyl)methyl]-6-phenyl-1,2,4-triazine-3,5-dione
CID 171781847
2-[[(3,4-Difluorophenyl)methyl-methylamino]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
CID 47060491

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide?
The IUPAC name of N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide (CID 70695838) is N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide?
The canonical SMILES for N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide is CC(=O)N1N=C2N(N=C(Cc3ccccc3)C(=O)N2N(C(C)=O)C(C)=O)C1c1ccccc1.
What is the InChIKey of N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide?
The InChIKey is RPSOUVHBNHLMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-15(30)26-21(19-12-8-5-9-13-19)27-23(25-26)29(28(16(2)31)17(3)32)22(33)20(24-27)14-18-10-6-4-7-11-18/h4-13,21H,14H2,1-3H3.
What are the key properties of N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide?
N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide has a molecular weight of 446.47 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-acetyl-6-benzyl-7-oxo-3-phenyl-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide is sourced from PubChem (CID 70695838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).