2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid

C12H11N3O4S — CID 51053856

IUPAC2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C12H11N3O4S/c16-10(13-6-12(18)19)7-15-11(17)4-3-8(14-15)9-2-1-5-20-9/h1-5H,6-7H2,(H,13,16)(H,18,19)
InChIKeySQYFYROCDXSVRH-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.17
Rot. Bonds5

About 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid

2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid (PubChem CID 51053856) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
PubChem CID51053856
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C12H11N3O4S/c16-10(13-6-12(18)19)7-15-11(17)4-3-8(14-15)9-2-1-5-20-9/h1-5H,6-7H2,(H,13,16)(H,18,19)
InChIKeySQYFYROCDXSVRH-UHFFFAOYSA-N
XLogP0.17
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 121049992
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenoxyethyl)acetamide
CID 121049977
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
2-phenacyl-6-thiophen-2-ylpyridazin-3-one
CID 43818842
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
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
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121049972
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-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid (CID 51053856) is 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid?
The InChIKey is SQYFYROCDXSVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-10(13-6-12(18)19)7-15-11(17)4-3-8(14-15)9-2-1-5-20-9/h1-5H,6-7H2,(H,13,16)(H,18,19).
What are the key properties of 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid?
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid has a molecular weight of 293.30 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 51053856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).