3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one

C9H10Cl2N4O — CID 106257583

IUPAC3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2cc(Cl)nnc2Cl)C1=O
InChIInChI=1S/C9H10Cl2N4O/c1-15-3-2-5(9(15)16)12-6-4-7(10)13-14-8(6)11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyYYSKRIAXMLXQRH-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.43
Rot. Bonds2

About 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one

3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106257583) has the molecular formula C9H10Cl2N4O and a molecular weight of 261.11 g/mol. Its IUPAC name is 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106257583
Molecular FormulaC9H10Cl2N4O
Molecular Weight261.11 g/mol
Exact Mass260.02
IUPAC Name3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2cc(Cl)nnc2Cl)C1=O
InChIInChI=1S/C9H10Cl2N4O/c1-15-3-2-5(9(15)16)12-6-4-7(10)13-14-8(6)11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyYYSKRIAXMLXQRH-UHFFFAOYSA-N
XLogP1.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
CID 106251681
(3R)-3-(5-bromo-2,4-difluoroanilino)-1-methylpyrrolidin-2-one
CID 99824677
2-amino-4-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 106259003
3-[(5-bromo-6-chloropyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257612
5-fluoro-4-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 71975561
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403
(3S)-3-(2-chloro-5-methyl-4-nitroanilino)-1-methylpyrrolidin-2-one
CID 96566432
3-[(5-chloro-1,3-thiazol-2-yl)amino]-1-methylpyrrolidin-2-one
CID 130718526
3-[(3-amino-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
CID 106259071
4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106258520
3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106251837
(3S)-3-(3,5-difluoroanilino)-1-methylpyrrolidin-2-one
CID 129369948

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one (CID 106257583) is 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2cc(Cl)nnc2Cl)C1=O.
What is the InChIKey of 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is YYSKRIAXMLXQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O/c1-15-3-2-5(9(15)16)12-6-4-7(10)13-14-8(6)11/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one?
3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 261.11 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106257583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).