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

C13H10F6N4O2 — CID 90542359

IUPAC2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(C(F)(F)F)nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C13H10F6N4O2/c1-22-10(13(17,18)19)21-23(11(22)25)6-9(24)20-8-4-2-7(3-5-8)12(14,15)16/h2-5H,6H2,1H3,(H,20,24)
InChIKeyRPNDHUKVYNDKOI-UHFFFAOYSA-N
MW368.24 g/mol
LogP2.26
Rot. Bonds3

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

2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 90542359) has the molecular formula C13H10F6N4O2 and a molecular weight of 368.24 g/mol. Its IUPAC name is 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID90542359
Molecular FormulaC13H10F6N4O2
Molecular Weight368.24 g/mol
Exact Mass368.07
IUPAC Name2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(C(F)(F)F)nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C13H10F6N4O2/c1-22-10(13(17,18)19)21-23(11(22)25)6-9(24)20-8-4-2-7(3-5-8)12(14,15)16/h2-5H,6H2,1H3,(H,20,24)
InChIKeyRPNDHUKVYNDKOI-UHFFFAOYSA-N
XLogP2.26
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 52.26
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-(trifluoromethoxy)phenyl]acetamide
CID 90542362
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2-methylphenyl)acetamide
CID 90542294
N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 90542299
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propylacetamide
CID 90542331
2-(1-tert-butyl-5-oxo-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 75447288
N-(2,5-dimethoxyphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 90542351
2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53073712
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7777773
6-oxo-1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-N-phenylpyridazine-3-carboxamide
CID 26845038
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376583
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 90542359) is 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is Cn1c(C(F)(F)F)nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RPNDHUKVYNDKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N4O2/c1-22-10(13(17,18)19)21-23(11(22)25)6-9(24)20-8-4-2-7(3-5-8)12(14,15)16/h2-5H,6H2,1H3,(H,20,24).
What are the key properties of 2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 368.24 g/mol, XLogP of 2.26, 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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90542359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).