(2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide

C11H15F3N4O — CID 143956085

IUPAC(2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
SMILESNC(=O)[C@H](CC1CCCC1)n1cnc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-6-18(17-10)8(9(15)19)5-7-3-1-2-4-7/h6-8H,1-5H2,(H2,15,19)/t8-/m0/s1
InChIKeyFXWFHEICCODICW-QMMMGPOBSA-N
MW276.26 g/mol
LogP1.90
Rot. Bonds4

About (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide

(2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide (PubChem CID 143956085) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
PubChem CID143956085
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name(2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
SMILESNC(=O)[C@H](CC1CCCC1)n1cnc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-6-18(17-10)8(9(15)19)5-7-3-1-2-4-7/h6-8H,1-5H2,(H2,15,19)/t8-/m0/s1
InChIKeyFXWFHEICCODICW-QMMMGPOBSA-N
XLogP1.90
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
CID 90954076
1-[(3,3-Difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
CID 145225341
1-[(4,4-Difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 157566266

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide (CID 143956085) is (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide is NC(=O)[C@H](CC1CCCC1)n1cnc(C(F)(F)F)n1.
What is the InChIKey of (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The InChIKey is FXWFHEICCODICW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10-16-6-18(17-10)8(9(15)19)5-7-3-1-2-4-7/h6-8H,1-5H2,(H2,15,19)/t8-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
(2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide is sourced from PubChem (CID 143956085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).