methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate

C11H16N2O4 — CID 105061584

IUPACmethyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H16N2O4/c1-11(2,10(15)17-4)7-13-9(14)6-5-8(12-13)16-3/h5-6H,7H2,1-4H3
InChIKeyRXJRMSTUXDCEIZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.45
Rot. Bonds4

About methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate

methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate (PubChem CID 105061584) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate
PubChem CID105061584
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H16N2O4/c1-11(2,10(15)17-4)7-13-9(14)6-5-8(12-13)16-3/h5-6H,7H2,1-4H3
InChIKeyRXJRMSTUXDCEIZ-UHFFFAOYSA-N
XLogP0.45
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate (CID 105061584) is methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cn1nc(OC)ccc1=O.
What is the InChIKey of methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is RXJRMSTUXDCEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,10(15)17-4)7-13-9(14)6-5-8(12-13)16-3/h5-6H,7H2,1-4H3.
What are the key properties of methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 240.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 105061584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).