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

C11H15F3N4O2 — CID 166282453

IUPAC2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide
SMILESCn1cnn(CC(=O)NCC2CC(C(F)(F)F)C2)c1=O
InChIInChI=1S/C11H15F3N4O2/c1-17-6-16-18(10(17)20)5-9(19)15-4-7-2-8(3-7)11(12,13)14/h6-8H,2-5H2,1H3,(H,15,19)
InChIKeyTZHPSFXGTYFSTJ-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.29
Rot. Bonds4

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

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide (PubChem CID 166282453) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide
PubChem CID166282453
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide
SMILESCn1cnn(CC(=O)NCC2CC(C(F)(F)F)C2)c1=O
InChIInChI=1S/C11H15F3N4O2/c1-17-6-16-18(10(17)20)5-9(19)15-4-7-2-8(3-7)11(12,13)14/h6-8H,2-5H2,1H3,(H,15,19)
InChIKeyTZHPSFXGTYFSTJ-UHFFFAOYSA-N
XLogP0.29
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}cyclobutanecarboxamide
CID 71793275
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 164636174
N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 166308344
N-(3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774483

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide (CID 166282453) is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide is Cn1cnn(CC(=O)NCC2CC(C(F)(F)F)C2)c1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide?
The InChIKey is TZHPSFXGTYFSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-17-6-16-18(10(17)20)5-9(19)15-4-7-2-8(3-7)11(12,13)14/h6-8H,2-5H2,1H3,(H,15,19).
What are the key properties of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide?
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide has a molecular weight of 292.26 g/mol, XLogP of 0.29, 4 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-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 166282453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).