ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate

C11H16N2O3 — CID 106548434

IUPACethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate
SMILESCCOC(=O)C(CC)n1ncc(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-4-9(11(15)16-5-2)13-10(14)6-8(3)7-12-13/h6-7,9H,4-5H2,1-3H3
InChIKeyQMUYAIVYBGMURR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.07
Rot. Bonds4

About ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate

ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate (PubChem CID 106548434) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate
PubChem CID106548434
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate
SMILESCCOC(=O)C(CC)n1ncc(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-4-9(11(15)16-5-2)13-10(14)6-8(3)7-12-13/h6-7,9H,4-5H2,1-3H3
InChIKeyQMUYAIVYBGMURR-UHFFFAOYSA-N
XLogP1.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 162727852
Ethyl 2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727996
ethyl (2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 175703301
ethyl (2R)-2-(4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 175703327
Ethyl 2-fluoro-2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 106548439
ethyl 2-[4-methyl-6-oxopyridazin-1(6H)-yl]propanoate
CID 66939398
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
ethyl [4-methyl-6-oxopyridazin-1(6H)-yl]acetate
CID 77231410
ethyl 2-(4-formyl-3H-pyridazin-2-yl)butanoate
CID 156207341
Ethyl 2-(6-oxopyridazin-1-yl)butanoate
CID 156207343
Ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 162727903
methyl 2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]butanoate
CID 45196781

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The IUPAC name of ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate (CID 106548434) is ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate is CCOC(=O)C(CC)n1ncc(C)cc1=O.
What is the InChIKey of ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The InChIKey is QMUYAIVYBGMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-9(11(15)16-5-2)13-10(14)6-8(3)7-12-13/h6-7,9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate?
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate has a molecular weight of 224.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate is sourced from PubChem (CID 106548434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).