N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

C8H11F3N4O2 — CID 90542338

IUPACN-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H11F3N4O2/c1-3-12-5(16)4-15-7(17)14(2)6(13-15)8(9,10)11/h3-4H2,1-2H3,(H,12,16)
InChIKeyUDIPYXWTZBISJF-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.26
Rot. Bonds3

About N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 90542338) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID90542338
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC NameN-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H11F3N4O2/c1-3-12-5(16)4-15-7(17)14(2)6(13-15)8(9,10)11/h3-4H2,1-2H3,(H,12,16)
InChIKeyUDIPYXWTZBISJF-UHFFFAOYSA-N
XLogP-0.26
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (CID 90542338) is N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is CCNC(=O)Cn1nc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is UDIPYXWTZBISJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-3-12-5(16)4-15-7(17)14(2)6(13-15)8(9,10)11/h3-4H2,1-2H3,(H,12,16).
What are the key properties of N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 252.20 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 90542338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).