ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate

C10H14N2O4 — CID 105061550

IUPACethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)CCn1nc(OC)ccc1=O
InChIInChI=1S/C10H14N2O4/c1-3-16-10(14)6-7-12-9(13)5-4-8(11-12)15-2/h4-5H,3,6-7H2,1-2H3
InChIKeyAEEOHANWCDPFQJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.21
Rot. Bonds5

About ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate

ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate (PubChem CID 105061550) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
PubChem CID105061550
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)CCn1nc(OC)ccc1=O
InChIInChI=1S/C10H14N2O4/c1-3-16-10(14)6-7-12-9(13)5-4-8(11-12)15-2/h4-5H,3,6-7H2,1-2H3
InChIKeyAEEOHANWCDPFQJ-UHFFFAOYSA-N
XLogP0.21
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-ethoxy-3-oxopropyl)-6-oxopyridazin-3-yl] 6-chloro-2-methoxy-3-methylbenzoate
CID 90398358
[1-(3-ethoxy-3-oxopropyl)-6-oxopyridazin-3-yl] 2-chloro-4-methylbenzoate
CID 161471290
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 105061828
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
CID 105061554
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
3-(3-methoxy-6-oxopyridazin-1-yl)-2,2-dimethylpropanehydrazide
CID 105062241
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
2-[2-(2-ethoxyethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062166
6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one
CID 105062199
2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 99841724
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate (CID 105061550) is ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate is CCOC(=O)CCn1nc(OC)ccc1=O.
What is the InChIKey of ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate?
The InChIKey is AEEOHANWCDPFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-16-10(14)6-7-12-9(13)5-4-8(11-12)15-2/h4-5H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate?
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 105061550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).