2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

C12H10F3N3O2S — CID 16905681

IUPAC2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)11(20)16-5-6-18-10(19)4-3-8(17-18)9-2-1-7-21-9/h1-4,7H,5-6H2,(H,16,20)
InChIKeyMYIKYTZSQXYUPU-UHFFFAOYSA-N
MW317.29 g/mol
LogP1.65
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 16905681) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
PubChem CID16905681
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
SMILESO=C(NCCn1nc(-c2cccs2)ccc1=O)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)11(20)16-5-6-18-10(19)4-3-8(17-18)9-2-1-7-21-9/h1-4,7H,5-6H2,(H,16,20)
InChIKeyMYIKYTZSQXYUPU-UHFFFAOYSA-N
XLogP1.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (CID 16905681) is 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is MYIKYTZSQXYUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)11(20)16-5-6-18-10(19)4-3-8(17-18)9-2-1-7-21-9/h1-4,7H,5-6H2,(H,16,20).
What are the key properties of 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 317.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 16905681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).