ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate

C15H24N2O4 — CID 164914172

IUPACethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O
InChIInChI=1S/C15H24N2O4/c1-6-20-14(19)8-17-13(18)7-12(21-9-10(2)3)15(16-17)11(4)5/h7,10-11H,6,8-9H2,1-5H3
InChIKeyZOOWRJUXUQKBIA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.96
Rot. Bonds7

About ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate

ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate (PubChem CID 164914172) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
PubChem CID164914172
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O
InChIInChI=1S/C15H24N2O4/c1-6-20-14(19)8-17-13(18)7-12(21-9-10(2)3)15(16-17)11(4)5/h7,10-11H,6,8-9H2,1-5H3
InChIKeyZOOWRJUXUQKBIA-UHFFFAOYSA-N
XLogP1.96
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate (CID 164914172) is ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate is CCOC(=O)Cn1nc(C(C)C)c(OCC(C)C)cc1=O.
What is the InChIKey of ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The InChIKey is ZOOWRJUXUQKBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-6-20-14(19)8-17-13(18)7-12(21-9-10(2)3)15(16-17)11(4)5/h7,10-11H,6,8-9H2,1-5H3.
What are the key properties of ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate has a molecular weight of 296.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate is sourced from PubChem (CID 164914172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).