4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one

C7H6Cl2N2O2 — CID 130615454

IUPAC4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C1COC1
InChIInChI=1S/C7H6Cl2N2O2/c8-5-1-10-11(4-2-13-3-4)7(12)6(5)9/h1,4H,2-3H2
InChIKeyPSKSVUVONHXWNH-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.12
Rot. Bonds1

About 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one

4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one (PubChem CID 130615454) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one
PubChem CID130615454
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C1COC1
InChIInChI=1S/C7H6Cl2N2O2/c8-5-1-10-11(4-2-13-3-4)7(12)6(5)9/h1,4H,2-3H2
InChIKeyPSKSVUVONHXWNH-UHFFFAOYSA-N
XLogP1.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one (CID 130615454) is 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1C1COC1.
What is the InChIKey of 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one?
The InChIKey is PSKSVUVONHXWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c8-5-1-10-11(4-2-13-3-4)7(12)6(5)9/h1,4H,2-3H2.
What are the key properties of 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one?
4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one has a molecular weight of 221.04 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(oxetan-3-yl)pyridazin-3-one is sourced from PubChem (CID 130615454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).