ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate

C8H10N2O4 — CID 3518605

IUPACethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc(=O)[nH]n1
InChIInChI=1S/C8H10N2O4/c1-2-13-8(12)5-14-7-4-3-6(11)9-10-7/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyDBXBIRDEWZUVDV-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.29
Rot. Bonds4

About ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate

ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate (PubChem CID 3518605) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate
PubChem CID3518605
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate
SMILESCCOC(=O)COc1ccc(=O)[nH]n1
InChIInChI=1S/C8H10N2O4/c1-2-13-8(12)5-14-7-4-3-6(11)9-10-7/h3-4H,2,5H2,1H3,(H,9,11)
InChIKeyDBXBIRDEWZUVDV-UHFFFAOYSA-N
XLogP-0.29
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[(6-hydroxypyridazin-3-yl)oxy]-3-oxobutanoate
CID 659652
2-(6-Hydroxy-pyridazin-3-yloxy)-propionic acid methyl ester
CID 645080
Methyl [(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy]acetate
CID 4356351
Ethyl ((3-methoxy-6-oxo-1,6-dihydro-1-pyridazinyl)oxy)acetate
CID 580909
2-((6-Oxo-1,6-dihydropyridazin-3-yl)oxy)acetic acid
CID 3283986
ethyl 4-[(6-oxo-1H-pyridazin-3-yl)oxy]butanoate
CID 22987117
(6-oxo-1H-pyridazin-3-yl) 2-oxoacetate
CID 22987122
3-(2-oxopropoxy)-1H-pyridazin-6-one
CID 23402912
methyl (2R)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate
CID 917369
methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate
CID 917370
ethyl (2R)-3-oxo-2-[(6-oxo-1H-pyridazin-3-yl)oxy]butanoate
CID 1860209
ethyl (2S)-3-oxo-2-[(6-oxo-1H-pyridazin-3-yl)oxy]butanoate
CID 1860210

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate (CID 3518605) is ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate is CCOC(=O)COc1ccc(=O)[nH]n1.
What is the InChIKey of ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate?
The InChIKey is DBXBIRDEWZUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-13-8(12)5-14-7-4-3-6(11)9-10-7/h3-4H,2,5H2,1H3,(H,9,11).
What are the key properties of ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate?
ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate has a molecular weight of 198.18 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxo-1H-pyridazin-3-yl)oxy]acetate is sourced from PubChem (CID 3518605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).