ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate

C11H16N2O3 — CID 106548407

IUPACethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate
SMILESCCOC(=O)CC(C)n1ncc(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-4-16-11(15)6-9(3)13-10(14)5-8(2)7-12-13/h5,7,9H,4,6H2,1-3H3
InChIKeyWNCUQMQFNOZEPL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.07
Rot. Bonds4

About ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate

ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate (PubChem CID 106548407) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate
PubChem CID106548407
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate
SMILESCCOC(=O)CC(C)n1ncc(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-4-16-11(15)6-9(3)13-10(14)5-8(2)7-12-13/h5,7,9H,4,6H2,1-3H3
InChIKeyWNCUQMQFNOZEPL-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

Methyl 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548379
2-Methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548384
3-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548393
Methyl 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548398
Ethyl 2-(4-methyl-6-oxopyridazin-1-yl)pentanoate
CID 106548402
Methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548417
Methyl 4-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548425
Ethyl 2-[(4-methyl-6-oxopyridazin-1-yl)methyl]prop-2-enoate
CID 106548433
Ethyl 2-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548434
Ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548438
Methyl 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548448
Tert-butyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548453

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The IUPAC name of ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate (CID 106548407) is ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The canonical SMILES for ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate is CCOC(=O)CC(C)n1ncc(C)cc1=O.
What is the InChIKey of ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate?
The InChIKey is WNCUQMQFNOZEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-16-11(15)6-9(3)13-10(14)5-8(2)7-12-13/h5,7,9H,4,6H2,1-3H3.
What are the key properties of ethyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate?
ethyl 3-(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 3-(4-methyl-6-oxopyridazin-1-yl)butanoate is sourced from PubChem (CID 106548407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).