2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C15H17F3N4O2 — CID 75447288

IUPAC2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)n1ncn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C15H17F3N4O2/c1-14(2,3)22-13(24)21(9-19-22)8-12(23)20-11-6-4-10(5-7-11)15(16,17)18/h4-7,9H,8H2,1-3H3,(H,20,23)
InChIKeyUFJUFNHNNVQZJF-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.46
Rot. Bonds3

About 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 75447288) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID75447288
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)n1ncn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C15H17F3N4O2/c1-14(2,3)22-13(24)21(9-19-22)8-12(23)20-11-6-4-10(5-7-11)15(16,17)18/h4-7,9H,8H2,1-3H3,(H,20,23)
InChIKeyUFJUFNHNNVQZJF-UHFFFAOYSA-N
XLogP2.46
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90542359
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
2-(3-ethyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43936078
2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 50928836
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 3245361
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100738649
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-tert-butylphenyl)acetamide
CID 82031681
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-ethylphenyl)acetamide
CID 7118703
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171998509

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 75447288) is 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is CC(C)(C)n1ncn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UFJUFNHNNVQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-14(2,3)22-13(24)21(9-19-22)8-12(23)20-11-6-4-10(5-7-11)15(16,17)18/h4-7,9H,8H2,1-3H3,(H,20,23).
What are the key properties of 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 342.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 75447288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).