methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate

C11H13ClN4O4 — CID 106191964

IUPACmethyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate
SMILESCOC(=O)Cn1ncc(NC2CNC(=O)C2)c(Cl)c1=O
InChIInChI=1S/C11H13ClN4O4/c1-20-9(18)5-16-11(19)10(12)7(4-14-16)15-6-2-8(17)13-3-6/h4,6,15H,2-3,5H2,1H3,(H,13,17)
InChIKeyKWZRLDQGCZVYSD-UHFFFAOYSA-N
MW300.70 g/mol
LogP-0.63
Rot. Bonds4

About methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate

methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate (PubChem CID 106191964) has the molecular formula C11H13ClN4O4 and a molecular weight of 300.70 g/mol. Its IUPAC name is methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate
PubChem CID106191964
Molecular FormulaC11H13ClN4O4
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC Namemethyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate
SMILESCOC(=O)Cn1ncc(NC2CNC(=O)C2)c(Cl)c1=O
InChIInChI=1S/C11H13ClN4O4/c1-20-9(18)5-16-11(19)10(12)7(4-14-16)15-6-2-8(17)13-3-6/h4,6,15H,2-3,5H2,1H3,(H,13,17)
InChIKeyKWZRLDQGCZVYSD-UHFFFAOYSA-N
XLogP-0.63
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate with MolForge

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Related Compounds

4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860
methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate
CID 114437032
methyl 2-[5-chloro-4-[(2-methylpiperidin-4-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 106995982
methyl 2-[5-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 114435307
methyl 2-[5-chloro-4-[(2-methylcyclopentyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114437732
methyl 2-[5-chloro-4-[(2-methyloxolan-3-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 114440922
methyl 2-[5-chloro-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114630143
methyl 2-[5-chloro-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-6-oxopyridazin-1-yl]acetate
CID 107851333
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114437934
4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191911
4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191769
methyl 2-[4-(but-2-ynylamino)-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114441921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate?
The IUPAC name of methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate (CID 106191964) is methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate is COC(=O)Cn1ncc(NC2CNC(=O)C2)c(Cl)c1=O.
What is the InChIKey of methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate?
The InChIKey is KWZRLDQGCZVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O4/c1-20-9(18)5-16-11(19)10(12)7(4-14-16)15-6-2-8(17)13-3-6/h4,6,15H,2-3,5H2,1H3,(H,13,17).
What are the key properties of methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate?
methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate has a molecular weight of 300.70 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate is sourced from PubChem (CID 106191964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).