3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C8H11F3N4 — CID 141381949

IUPAC3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1cnc(N2CCCC2)n1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)5-15-6-12-7(13-15)14-3-1-2-4-14/h6H,1-5H2
InChIKeyVFWUCULBJAZWMT-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.44
Rot. Bonds2

About 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 141381949) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID141381949
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESFC(F)(F)Cn1cnc(N2CCCC2)n1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)5-15-6-12-7(13-15)14-3-1-2-4-14/h6H,1-5H2
InChIKeyVFWUCULBJAZWMT-UHFFFAOYSA-N
XLogP1.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 141381949) is 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is FC(F)(F)Cn1cnc(N2CCCC2)n1.
What is the InChIKey of 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is VFWUCULBJAZWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)5-15-6-12-7(13-15)14-3-1-2-4-14/h6H,1-5H2.
What are the key properties of 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 220.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 141381949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).