1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine

C14H19FN6 — CID 71294146

IUPAC1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESFCCn1cc(CN2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C14H19FN6/c15-4-6-21-12-13(17-18-21)11-19-7-9-20(10-8-19)14-3-1-2-5-16-14/h1-3,5,12H,4,6-11H2
InChIKeyJHASNIBSGSVNJS-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.96
Rot. Bonds5

About 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine

1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine (PubChem CID 71294146) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
PubChem CID71294146
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESFCCn1cc(CN2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C14H19FN6/c15-4-6-21-12-13(17-18-21)11-19-7-9-20(10-8-19)14-3-1-2-5-16-14/h1-3,5,12H,4,6-11H2
InChIKeyJHASNIBSGSVNJS-UHFFFAOYSA-N
XLogP0.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine (CID 71294146) is 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine is FCCn1cc(CN2CCN(c3ccccn3)CC2)nn1.
What is the InChIKey of 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is JHASNIBSGSVNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c15-4-6-21-12-13(17-18-21)11-19-7-9-20(10-8-19)14-3-1-2-5-16-14/h1-3,5,12H,4,6-11H2.
What are the key properties of 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine?
1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 290.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 71294146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).