methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate

C12H17N3O3 — CID 30852551

IUPACmethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
SMILESCOC(=O)CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H17N3O3/c1-18-12(17)4-7-15-11(16)8-10(9-13-15)14-5-2-3-6-14/h8-9H,2-7H2,1H3
InChIKeyXDVDRVIZYRUUIE-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.41
Rot. Bonds4

About methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate

methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate (PubChem CID 30852551) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
PubChem CID30852551
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
SMILESCOC(=O)CCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H17N3O3/c1-18-12(17)4-7-15-11(16)8-10(9-13-15)14-5-2-3-6-14/h8-9H,2-7H2,1H3
InChIKeyXDVDRVIZYRUUIE-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
3-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]propyl acetate
CID 28685385
Methyl 2-methyl-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)but-2-enoate
CID 104920870
2-Methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
CID 113579311
Methyl 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylpropanoate
CID 113579320
Methyl 2-bromo-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 113579341
3-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpropanoic acid
CID 113579342
Ethyl 3-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoate
CID 113579349
3-[4-(Diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylpropanoic acid
CID 113579352
Ethyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 113579360
Methyl 4-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]butanoate
CID 113579361
Methyl 2-bromo-3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 113579362

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The IUPAC name of methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate (CID 30852551) is methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate is COC(=O)CCn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
The InChIKey is XDVDRVIZYRUUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-12(17)4-7-15-11(16)8-10(9-13-15)14-5-2-3-6-14/h8-9H,2-7H2,1H3.
What are the key properties of methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate?
methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate 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 methyl 3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate is sourced from PubChem (CID 30852551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).