1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one

C9H11ClN4O — CID 87405540

IUPAC1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one
SMILESCC1(C)CNC(=O)N1c1ccc(Cl)nn1
InChIInChI=1S/C9H11ClN4O/c1-9(2)5-11-8(15)14(9)7-4-3-6(10)12-13-7/h3-4H,5H2,1-2H3,(H,11,15)
InChIKeyKIFVBIPOSSHZPZ-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.44
Rot. Bonds1

About 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one

1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one (PubChem CID 87405540) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one
PubChem CID87405540
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one
SMILESCC1(C)CNC(=O)N1c1ccc(Cl)nn1
InChIInChI=1S/C9H11ClN4O/c1-9(2)5-11-8(15)14(9)7-4-3-6(10)12-13-7/h3-4H,5H2,1-2H3,(H,11,15)
InChIKeyKIFVBIPOSSHZPZ-UHFFFAOYSA-N
XLogP1.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one (CID 87405540) is 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one is CC1(C)CNC(=O)N1c1ccc(Cl)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one?
The InChIKey is KIFVBIPOSSHZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-9(2)5-11-8(15)14(9)7-4-3-6(10)12-13-7/h3-4H,5H2,1-2H3,(H,11,15).
What are the key properties of 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one?
1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one has a molecular weight of 226.67 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-5,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 87405540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).