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

C12H17F3N4O — CID 90954076

IUPAC3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
SMILESCNC(=O)C(CC1CCCC1)n1cnc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-10(20)9(6-8-4-2-3-5-8)19-7-17-11(18-19)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,20)
InChIKeyBRTINFNOCUNFBY-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.16
Rot. Bonds4

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

3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide (PubChem CID 90954076) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
PubChem CID90954076
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
SMILESCNC(=O)C(CC1CCCC1)n1cnc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-10(20)9(6-8-4-2-3-5-8)19-7-17-11(18-19)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,20)
InChIKeyBRTINFNOCUNFBY-UHFFFAOYSA-N
XLogP2.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide (CID 90954076) is 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide is CNC(=O)C(CC1CCCC1)n1cnc(C(F)(F)F)n1.
What is the InChIKey of 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The InChIKey is BRTINFNOCUNFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-16-10(20)9(6-8-4-2-3-5-8)19-7-17-11(18-19)12(13,14)15/h7-9H,2-6H2,1H3,(H,16,20).
What are the key properties of 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-methyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide is sourced from PubChem (CID 90954076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).