ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate

C12H17N3O3 — CID 114393809

IUPACethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)9-15-11(16)7-10(8-13-15)14-5-3-4-6-14/h7-8H,2-6,9H2,1H3
InChIKeySOSWEMGSRSJBIU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.41
Rot. Bonds4

About ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate

ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate (PubChem CID 114393809) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
PubChem CID114393809
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H17N3O3/c1-2-18-12(17)9-15-11(16)7-10(8-13-15)14-5-3-4-6-14/h7-8H,2-6,9H2,1H3
InChIKeySOSWEMGSRSJBIU-UHFFFAOYSA-N
XLogP0.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
Ethyl 2-fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate
CID 113579305
Ethyl 2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 113579338
Ethyl 2-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 113579346
2-Fluoro-2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579366
2-Fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
CID 114393812
Ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 114393854
Ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
CID 114393893
Ethyl 2-fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetate
CID 114393915
Ethyl 2-fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114393960
Ethyl 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114394095
Ethyl 2-fluoro-2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114394178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate (CID 114393809) is ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate is CCOC(=O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate?
The InChIKey is SOSWEMGSRSJBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-12(17)9-15-11(16)7-10(8-13-15)14-5-3-4-6-14/h7-8H,2-6,9H2,1H3.
What are the key properties of ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate?
ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate has a molecular weight of 251.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetate is sourced from PubChem (CID 114393809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).