2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

C13H19F3N4O — CID 131943763

IUPAC2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(CCC2CCCC2)n(CC(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)8-20-12(6-5-9-3-1-2-4-9)18-11(19-20)7-10(17)21/h9H,1-8H2,(H2,17,21)
InChIKeyZWKVZWSKMHCWIO-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.99
Rot. Bonds6

About 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131943763) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131943763
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(CCC2CCCC2)n(CC(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)8-20-12(6-5-9-3-1-2-4-9)18-11(19-20)7-10(17)21/h9H,1-8H2,(H2,17,21)
InChIKeyZWKVZWSKMHCWIO-UHFFFAOYSA-N
XLogP1.99
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (CID 131943763) is 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(CCC2CCCC2)n(CC(F)(F)F)n1.
What is the InChIKey of 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ZWKVZWSKMHCWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)8-20-12(6-5-9-3-1-2-4-9)18-11(19-20)7-10(17)21/h9H,1-8H2,(H2,17,21).
What are the key properties of 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 304.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131943763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).