3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione

C12H15ClN4O4 — CID 114439582

IUPAC3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCOCCn1ncc(NC2CC(=O)N(C)C2=O)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4O4/c1-16-9(18)5-7(11(16)19)15-8-6-14-17(3-4-21-2)12(20)10(8)13/h6-7,15H,3-5H2,1-2H3
InChIKeyZPNAICXGVTXRPF-UHFFFAOYSA-N
MW314.73 g/mol
LogP-0.29
Rot. Bonds5

About 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione

3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 114439582) has the molecular formula C12H15ClN4O4 and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
PubChem CID114439582
Molecular FormulaC12H15ClN4O4
Molecular Weight314.73 g/mol
Exact Mass314.08
IUPAC Name3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCOCCn1ncc(NC2CC(=O)N(C)C2=O)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4O4/c1-16-9(18)5-7(11(16)19)15-8-6-14-17(3-4-21-2)12(20)10(8)13/h6-7,15H,3-5H2,1-2H3
InChIKeyZPNAICXGVTXRPF-UHFFFAOYSA-N
XLogP-0.29
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione (CID 114439582) is 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione is COCCn1ncc(NC2CC(=O)N(C)C2=O)c(Cl)c1=O.
What is the InChIKey of 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is ZPNAICXGVTXRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O4/c1-16-9(18)5-7(11(16)19)15-8-6-14-17(3-4-21-2)12(20)10(8)13/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 314.73 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114439582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).