ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate

C12H14N2O3S — CID 167767691

IUPACethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate
SMILESCCOC(=O)CN1N=C(c2cccs2)CCC1=O
InChIInChI=1S/C12H14N2O3S/c1-2-17-12(16)8-14-11(15)6-5-9(13-14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3
InChIKeyJTMLHKLUUKOWNX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.64
Rot. Bonds4

About ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate

ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate (PubChem CID 167767691) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate
PubChem CID167767691
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate
SMILESCCOC(=O)CN1N=C(c2cccs2)CCC1=O
InChIInChI=1S/C12H14N2O3S/c1-2-17-12(16)8-14-11(15)6-5-9(13-14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3
InChIKeyJTMLHKLUUKOWNX-UHFFFAOYSA-N
XLogP1.64
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate (CID 167767691) is ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate is CCOC(=O)CN1N=C(c2cccs2)CCC1=O.
What is the InChIKey of ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate?
The InChIKey is JTMLHKLUUKOWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-17-12(16)8-14-11(15)6-5-9(13-14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate?
ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate has a molecular weight of 266.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-3-thiophen-2-yl-4,5-dihydropyridazin-1-yl)acetate is sourced from PubChem (CID 167767691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).