1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one

C12H15F3N4O2 — CID 154763933

IUPAC1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one
SMILESCCN1CCN(c2ccc(OCC(F)(F)F)nn2)CC1=O
InChIInChI=1S/C12H15F3N4O2/c1-2-18-5-6-19(7-11(18)20)9-3-4-10(17-16-9)21-8-12(13,14)15/h3-4H,2,5-8H2,1H3
InChIKeyVWQKEJDTQOITIV-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.09
Rot. Bonds4

About 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one

1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one (PubChem CID 154763933) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one
PubChem CID154763933
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one
SMILESCCN1CCN(c2ccc(OCC(F)(F)F)nn2)CC1=O
InChIInChI=1S/C12H15F3N4O2/c1-2-18-5-6-19(7-11(18)20)9-3-4-10(17-16-9)21-8-12(13,14)15/h3-4H,2,5-8H2,1H3
InChIKeyVWQKEJDTQOITIV-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one?
The IUPAC name of 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one (CID 154763933) is 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one?
The canonical SMILES for 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one is CCN1CCN(c2ccc(OCC(F)(F)F)nn2)CC1=O.
What is the InChIKey of 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one?
The InChIKey is VWQKEJDTQOITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-2-18-5-6-19(7-11(18)20)9-3-4-10(17-16-9)21-8-12(13,14)15/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one?
1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one has a molecular weight of 304.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperazin-2-one is sourced from PubChem (CID 154763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).