2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C14H13F3N4OS — CID 41233238

IUPAC2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(c2ccc(-c3cccs3)nn2)CC1)C(F)(F)F
InChIInChI=1S/C14H13F3N4OS/c15-14(16,17)13(22)21-7-5-20(6-8-21)12-4-3-10(18-19-12)11-2-1-9-23-11/h1-4,9H,5-8H2
InChIKeyHAHUSIJATCLHPR-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.42
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 41233238) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID41233238
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Name2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(c2ccc(-c3cccs3)nn2)CC1)C(F)(F)F
InChIInChI=1S/C14H13F3N4OS/c15-14(16,17)13(22)21-7-5-20(6-8-21)12-4-3-10(18-19-12)11-2-1-9-23-11/h1-4,9H,5-8H2
InChIKeyHAHUSIJATCLHPR-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 41233238) is 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(N1CCN(c2ccc(-c3cccs3)nn2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is HAHUSIJATCLHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c15-14(16,17)13(22)21-7-5-20(6-8-21)12-4-3-10(18-19-12)11-2-1-9-23-11/h1-4,9H,5-8H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 342.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 41233238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).