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

C9H13F3N4O2 — CID 90542382

IUPAC2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C9H13F3N4O2/c1-5(2)13-6(17)4-16-8(18)15(3)7(14-16)9(10,11)12/h5H,4H2,1-3H3,(H,13,17)
InChIKeyUANZLNARALFRJA-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.13
Rot. Bonds3

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

2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90542382) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90542382
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C9H13F3N4O2/c1-5(2)13-6(17)4-16-8(18)15(3)7(14-16)9(10,11)12/h5H,4H2,1-3H3,(H,13,17)
InChIKeyUANZLNARALFRJA-UHFFFAOYSA-N
XLogP0.13
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide (CID 90542382) is 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is UANZLNARALFRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-5(2)13-6(17)4-16-8(18)15(3)7(14-16)9(10,11)12/h5H,4H2,1-3H3,(H,13,17).
What are the key properties of 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide?
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 266.22 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90542382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).