ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate

C9H12N2O4 — CID 2176252

IUPACethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate
SMILESCCOC(=O)COc1ccc(=O)n(C)n1
InChIInChI=1S/C9H12N2O4/c1-3-14-9(13)6-15-7-4-5-8(12)11(2)10-7/h4-5H,3,6H2,1-2H3
InChIKeyZZJSIQZGSKCZDT-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.28
Rot. Bonds4

About ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate

ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate (PubChem CID 2176252) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate
PubChem CID2176252
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate
SMILESCCOC(=O)COc1ccc(=O)n(C)n1
InChIInChI=1S/C9H12N2O4/c1-3-14-9(13)6-15-7-4-5-8(12)11(2)10-7/h4-5H,3,6H2,1-2H3
InChIKeyZZJSIQZGSKCZDT-UHFFFAOYSA-N
XLogP-0.28
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-propoxypyridazin-3(2H)-one
CID 5243598
Ethyl 2-(6-oxohydropyridazin-3-yloxy)acetate
CID 3518605
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
ethyl (E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoate
CID 105061530

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate?
The IUPAC name of ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate (CID 2176252) is ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate?
The canonical SMILES for ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate is CCOC(=O)COc1ccc(=O)n(C)n1.
What is the InChIKey of ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate?
The InChIKey is ZZJSIQZGSKCZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-14-9(13)6-15-7-4-5-8(12)11(2)10-7/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate?
ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate has a molecular weight of 212.20 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-6-oxopyridazin-3-yl)oxyacetate is sourced from PubChem (CID 2176252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).