3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one

C16H17F3N4O2 — CID 10405848

IUPAC3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
SMILESO=c1c(N2CCNCC2)nccn1CCOc1cc(F)c(F)cc1F
InChIInChI=1S/C16H17F3N4O2/c17-11-9-13(19)14(10-12(11)18)25-8-7-23-6-3-21-15(16(23)24)22-4-1-20-2-5-22/h3,6,9-10,20H,1-2,4-5,7-8H2
InChIKeyWGHXRGUSQHHKHR-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.15
Rot. Bonds5

About 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one

3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one (PubChem CID 10405848) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
PubChem CID10405848
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
SMILESO=c1c(N2CCNCC2)nccn1CCOc1cc(F)c(F)cc1F
InChIInChI=1S/C16H17F3N4O2/c17-11-9-13(19)14(10-12(11)18)25-8-7-23-6-3-21-15(16(23)24)22-4-1-20-2-5-22/h3,6,9-10,20H,1-2,4-5,7-8H2
InChIKeyWGHXRGUSQHHKHR-UHFFFAOYSA-N
XLogP1.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one?
The IUPAC name of 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one (CID 10405848) is 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one.
What is the SMILES notation for 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one?
The canonical SMILES for 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one is O=c1c(N2CCNCC2)nccn1CCOc1cc(F)c(F)cc1F.
What is the InChIKey of 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one?
The InChIKey is WGHXRGUSQHHKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-11-9-13(19)14(10-12(11)18)25-8-7-23-6-3-21-15(16(23)24)22-4-1-20-2-5-22/h3,6,9-10,20H,1-2,4-5,7-8H2.
What are the key properties of 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one?
3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one has a molecular weight of 354.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one is sourced from PubChem (CID 10405848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).