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

C11H15F3N4O3 — CID 166308344

IUPACN-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NCC2CC(O)(C(F)(F)F)C2)c1=O
InChIInChI=1S/C11H15F3N4O3/c1-17-6-16-18(9(17)20)5-8(19)15-4-7-2-10(21,3-7)11(12,13)14/h6-7,21H,2-5H2,1H3,(H,15,19)
InChIKeyFLJCOPJDAFNFMA-UHFFFAOYSA-N
MW308.26 g/mol
LogP-0.60
Rot. Bonds4

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

N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 166308344) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID166308344
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC NameN-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NCC2CC(O)(C(F)(F)F)C2)c1=O
InChIInChI=1S/C11H15F3N4O3/c1-17-6-16-18(9(17)20)5-8(19)15-4-7-2-10(21,3-7)11(12,13)14/h6-7,21H,2-5H2,1H3,(H,15,19)
InChIKeyFLJCOPJDAFNFMA-UHFFFAOYSA-N
XLogP-0.60
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)cyclobutyl]methyl]acetamide
CID 166282453
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007349

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 166308344) is N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NCC2CC(O)(C(F)(F)F)C2)c1=O.
What is the InChIKey of N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is FLJCOPJDAFNFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-17-6-16-18(9(17)20)5-8(19)15-4-7-2-10(21,3-7)11(12,13)14/h6-7,21H,2-5H2,1H3,(H,15,19).
What are the key properties of N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 308.26 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 166308344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).