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

C10H11ClN4O3 — CID 114417838

IUPAC3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2cnn(C)c(=O)c2Cl)C1=O
InChIInChI=1S/C10H11ClN4O3/c1-14-7(16)3-5(9(14)17)13-6-4-12-15(2)10(18)8(6)11/h4-5,13H,3H2,1-2H3
InChIKeyKLXMGJHSNPQTLH-UHFFFAOYSA-N
MW270.68 g/mol
LogP-0.40
Rot. Bonds2

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

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 114417838) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID114417838
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC Name3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2cnn(C)c(=O)c2Cl)C1=O
InChIInChI=1S/C10H11ClN4O3/c1-14-7(16)3-5(9(14)17)13-6-4-12-15(2)10(18)8(6)11/h4-5,13H,3H2,1-2H3
InChIKeyKLXMGJHSNPQTLH-UHFFFAOYSA-N
XLogP-0.40
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 114417838) is 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2cnn(C)c(=O)c2Cl)C1=O.
What is the InChIKey of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is KLXMGJHSNPQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c1-14-7(16)3-5(9(14)17)13-6-4-12-15(2)10(18)8(6)11/h4-5,13H,3H2,1-2H3.
What are the key properties of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 270.68 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114417838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).