2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H10F3N3O2S — CID 121049992

IUPAC2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-16-10(19)6-18-11(20)4-3-8(17-18)9-2-1-5-21-9/h1-5H,6-7H2,(H,16,19)
InChIKeyCVKCGHUOGLJLOA-UHFFFAOYSA-N
MW317.29 g/mol
LogP1.65
Rot. Bonds4

About 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 121049992) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID121049992
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-16-10(19)6-18-11(20)4-3-8(17-18)9-2-1-5-21-9/h1-5H,6-7H2,(H,16,19)
InChIKeyCVKCGHUOGLJLOA-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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Related Compounds

2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121049972
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenoxyethyl)acetamide
CID 121049977
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
2-phenacyl-6-thiophen-2-ylpyridazin-3-one
CID 43818842
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121052126
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049951
N,N,4-trimethyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 121049989

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 121049992) is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)NCC(F)(F)F.
What is the InChIKey of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CVKCGHUOGLJLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)7-16-10(19)6-18-11(20)4-3-8(17-18)9-2-1-5-21-9/h1-5H,6-7H2,(H,16,19).
What are the key properties of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)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-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 121049992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).