ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate

C11H16N2O5 — CID 105061543

IUPACethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate
SMILESCCOC(=O)CC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H16N2O5/c1-3-18-11(16)6-8(14)7-13-10(15)5-4-9(12-13)17-2/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyAQLVQWZVHVSWGX-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.43
Rot. Bonds6

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

ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate (PubChem CID 105061543) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate
PubChem CID105061543
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Nameethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate
SMILESCCOC(=O)CC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H16N2O5/c1-3-18-11(16)6-8(14)7-13-10(15)5-4-9(12-13)17-2/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyAQLVQWZVHVSWGX-UHFFFAOYSA-N
XLogP-0.43
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate (CID 105061543) is ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate is CCOC(=O)CC(O)Cn1nc(OC)ccc1=O.
What is the InChIKey of ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate?
The InChIKey is AQLVQWZVHVSWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-3-18-11(16)6-8(14)7-13-10(15)5-4-9(12-13)17-2/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate?
ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate has a molecular weight of 256.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(3-methoxy-6-oxopyridazin-1-yl)butanoate is sourced from PubChem (CID 105061543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).