methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate

C13H19N3O4 — CID 114394179

IUPACmethyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate
SMILESCOC(=O)CCn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C13H19N3O4/c1-19-11-3-5-15(9-11)10-7-12(17)16(14-8-10)6-4-13(18)20-2/h7-8,11H,3-6,9H2,1-2H3
InChIKeyYEONSMOJTJRXEP-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.03
Rot. Bonds5

About methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate

methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate (PubChem CID 114394179) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate
PubChem CID114394179
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate
SMILESCOC(=O)CCn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C13H19N3O4/c1-19-11-3-5-15(9-11)10-7-12(17)16(14-8-10)6-4-13(18)20-2/h7-8,11H,3-6,9H2,1-2H3
InChIKeyYEONSMOJTJRXEP-UHFFFAOYSA-N
XLogP0.03
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
2-(5-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397171
2-(3-bromopropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114394487
propan-2-yl 2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114394176
2-amino-3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 114394188
2-[(2R)-2-aminopropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 104920927
2-(3-amino-2-methylpropyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114393796
5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819951
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114397337
2-[2-(chloromethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 103065891
2-(2-azidoethyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 114396859
potassium trifluoro-[[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398775

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate (CID 114394179) is methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate is COC(=O)CCn1ncc(N2CCC(OC)C2)cc1=O.
What is the InChIKey of methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate?
The InChIKey is YEONSMOJTJRXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-11-3-5-15(9-11)10-7-12(17)16(14-8-10)6-4-13(18)20-2/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate?
methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate has a molecular weight of 281.31 g/mol, XLogP of 0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate is sourced from PubChem (CID 114394179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).