methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate

C14H19N3O4 — CID 104920882

IUPACmethyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate
SMILESCOC(=O)C(C)=CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H19N3O4/c1-11(14(19)20-2)3-4-17-13(18)9-12(10-15-17)16-5-7-21-8-6-16/h3,9-10H,4-8H2,1-2H3
InChIKeyDCIFEHGMXWKAPG-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.20
Rot. Bonds4

About methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate

methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate (PubChem CID 104920882) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate
PubChem CID104920882
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate
SMILESCOC(=O)C(C)=CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H19N3O4/c1-11(14(19)20-2)3-4-17-13(18)9-12(10-15-17)16-5-7-21-8-6-16/h3,9-10H,4-8H2,1-2H3
InChIKeyDCIFEHGMXWKAPG-UHFFFAOYSA-N
XLogP0.20
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate with MolForge

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Related Compounds

2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
Ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
CID 114393893
6-Ethoxy-2-ethyl-5-morpholin-4-ylpyridazin-3-one
CID 10332492
2-Ethyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
CID 10445697
Ethyl 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
CID 12473884
2-Ethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 104920876
3-Methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 104920878
2-Methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 104920883
Methyl 2-methyl-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)but-2-enoate
CID 104920886
4-[4-[2-Methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]-3-methylbut-2-enoic acid
CID 104920890
Methyl 4-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-methylbut-2-enoate
CID 113579317
Ethyl 2-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]prop-2-enoate
CID 113579319

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate?
The IUPAC name of methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate (CID 104920882) is methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate is COC(=O)C(C)=CCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate?
The InChIKey is DCIFEHGMXWKAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-11(14(19)20-2)3-4-17-13(18)9-12(10-15-17)16-5-7-21-8-6-16/h3,9-10H,4-8H2,1-2H3.
What are the key properties of methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate?
methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate has a molecular weight of 293.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate is sourced from PubChem (CID 104920882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).