2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione

C8H8F3N3O4 — CID 162576895

IUPAC2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
SMILESCOCn1c(=O)c(C(F)(F)F)nn(C(C)=O)c1=O
InChIInChI=1S/C8H8F3N3O4/c1-4(15)14-7(17)13(3-18-2)6(16)5(12-14)8(9,10)11/h3H2,1-2H3
InChIKeyRBDLAWIKNRTQMK-UHFFFAOYSA-N
MW267.16 g/mol
LogP-0.31
Rot. Bonds2

About 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione

2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione (PubChem CID 162576895) has the molecular formula C8H8F3N3O4 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
PubChem CID162576895
Molecular FormulaC8H8F3N3O4
Molecular Weight267.16 g/mol
Exact Mass267.05
IUPAC Name2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
SMILESCOCn1c(=O)c(C(F)(F)F)nn(C(C)=O)c1=O
InChIInChI=1S/C8H8F3N3O4/c1-4(15)14-7(17)13(3-18-2)6(16)5(12-14)8(9,10)11/h3H2,1-2H3
InChIKeyRBDLAWIKNRTQMK-UHFFFAOYSA-N
XLogP-0.31
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione (CID 162576895) is 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione is COCn1c(=O)c(C(F)(F)F)nn(C(C)=O)c1=O.
What is the InChIKey of 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is RBDLAWIKNRTQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4/c1-4(15)14-7(17)13(3-18-2)6(16)5(12-14)8(9,10)11/h3H2,1-2H3.
What are the key properties of 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione?
2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 267.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-(methoxymethyl)-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 162576895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).