2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione

C8H6F3N3O4 — CID 162576886

IUPAC2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
SMILESCC(=O)n1nc(C)c(=O)n(C(=O)C(F)(F)F)c1=O
InChIInChI=1S/C8H6F3N3O4/c1-3-5(16)13(6(17)8(9,10)11)7(18)14(12-3)4(2)15/h1-2H3
InChIKeyANCZJKBSPGQNQE-UHFFFAOYSA-N
MW265.15 g/mol
LogP-0.42
Rot. Bonds

About 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione

2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione (PubChem CID 162576886) has the molecular formula C8H6F3N3O4 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
PubChem CID162576886
Molecular FormulaC8H6F3N3O4
Molecular Weight265.15 g/mol
Exact Mass265.03
IUPAC Name2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
SMILESCC(=O)n1nc(C)c(=O)n(C(=O)C(F)(F)F)c1=O
InChIInChI=1S/C8H6F3N3O4/c1-3-5(16)13(6(17)8(9,10)11)7(18)14(12-3)4(2)15/h1-2H3
InChIKeyANCZJKBSPGQNQE-UHFFFAOYSA-N
XLogP-0.42
TPSA91.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-Methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
CID 51063156
2-Iodo-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
CID 141878280
2-Acetyl-4-(fluoromethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 141878296
4-Acetyl-2-alumanyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 152799787
2-Acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 162576895

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione (CID 162576886) is 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione is CC(=O)n1nc(C)c(=O)n(C(=O)C(F)(F)F)c1=O.
What is the InChIKey of 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione?
The InChIKey is ANCZJKBSPGQNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O4/c1-3-5(16)13(6(17)8(9,10)11)7(18)14(12-3)4(2)15/h1-2H3.
What are the key properties of 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione?
2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione has a molecular weight of 265.15 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-methyl-4-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 162576886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).