1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine

C9H14F3N5 — CID 174286547

IUPAC1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine
SMILESFC(F)(F)Cn1ncc(CN2CCNCC2)n1
InChIInChI=1S/C9H14F3N5/c10-9(11,12)7-17-14-5-8(15-17)6-16-3-1-13-2-4-16/h5,13H,1-4,6-7H2
InChIKeyKYJMOUFOGICJHX-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.25
Rot. Bonds3

About 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine

1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine (PubChem CID 174286547) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine
PubChem CID174286547
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine
SMILESFC(F)(F)Cn1ncc(CN2CCNCC2)n1
InChIInChI=1S/C9H14F3N5/c10-9(11,12)7-17-14-5-8(15-17)6-16-3-1-13-2-4-16/h5,13H,1-4,6-7H2
InChIKeyKYJMOUFOGICJHX-UHFFFAOYSA-N
XLogP0.25
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine (CID 174286547) is 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine is FC(F)(F)Cn1ncc(CN2CCNCC2)n1.
What is the InChIKey of 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine?
The InChIKey is KYJMOUFOGICJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c10-9(11,12)7-17-14-5-8(15-17)6-16-3-1-13-2-4-16/h5,13H,1-4,6-7H2.
What are the key properties of 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine?
1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine has a molecular weight of 249.24 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2,2-trifluoroethyl)triazol-4-yl]methyl]piperazine is sourced from PubChem (CID 174286547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).