2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H15F3N4O — CID 71980989

IUPAC2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nc(CC)n(CC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-3-7-15-8(4-2)17(16-7)5-9(18)14-6-10(11,12)13/h3-6H2,1-2H3,(H,14,18)
InChIKeyACMYCIZHFZGYCT-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.08
Rot. Bonds5

About 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71980989) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71980989
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nc(CC)n(CC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-3-7-15-8(4-2)17(16-7)5-9(18)14-6-10(11,12)13/h3-6H2,1-2H3,(H,14,18)
InChIKeyACMYCIZHFZGYCT-UHFFFAOYSA-N
XLogP1.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 71980989) is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCc1nc(CC)n(CC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ACMYCIZHFZGYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-3-7-15-8(4-2)17(16-7)5-9(18)14-6-10(11,12)13/h3-6H2,1-2H3,(H,14,18).
What are the key properties of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71980989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).