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

C11H15F3N4O2 — CID 90542379

IUPACN-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCn1c(C(F)(F)F)nn(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C11H15F3N4O2/c1-17-9(11(12,13)14)16-18(10(17)20)6-8(19)15-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,15,19)
InChIKeyALSJESHESZYBSW-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.66
Rot. Bonds3

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

N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 90542379) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID90542379
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCn1c(C(F)(F)F)nn(CC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C11H15F3N4O2/c1-17-9(11(12,13)14)16-18(10(17)20)6-8(19)15-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,15,19)
InChIKeyALSJESHESZYBSW-UHFFFAOYSA-N
XLogP0.66
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (CID 90542379) is N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is Cn1c(C(F)(F)F)nn(CC(=O)NC2CCCC2)c1=O.
What is the InChIKey of N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is ALSJESHESZYBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-17-9(11(12,13)14)16-18(10(17)20)6-8(19)15-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,15,19).
What are the key properties of N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 292.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 90542379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).