5-chloro-2-(oxetan-3-yl)pyridazin-3-one

C7H7ClN2O2 — CID 172614640

IUPAC5-chloro-2-(oxetan-3-yl)pyridazin-3-one
SMILESO=c1cc(Cl)cnn1C1COC1
InChIInChI=1S/C7H7ClN2O2/c8-5-1-7(11)10(9-2-5)6-3-12-4-6/h1-2,6H,3-4H2
InChIKeyBGAOVPCOFSIECU-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.47
Rot. Bonds1

About 5-chloro-2-(oxetan-3-yl)pyridazin-3-one

5-chloro-2-(oxetan-3-yl)pyridazin-3-one (PubChem CID 172614640) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-chloro-2-(oxetan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(oxetan-3-yl)pyridazin-3-one
PubChem CID172614640
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name5-chloro-2-(oxetan-3-yl)pyridazin-3-one
SMILESO=c1cc(Cl)cnn1C1COC1
InChIInChI=1S/C7H7ClN2O2/c8-5-1-7(11)10(9-2-5)6-3-12-4-6/h1-2,6H,3-4H2
InChIKeyBGAOVPCOFSIECU-UHFFFAOYSA-N
XLogP0.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxetan-3-yl)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(oxetan-3-yl)pyridazin-3-one (CID 172614640) is 5-chloro-2-(oxetan-3-yl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(oxetan-3-yl)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(oxetan-3-yl)pyridazin-3-one is O=c1cc(Cl)cnn1C1COC1.
What is the InChIKey of 5-chloro-2-(oxetan-3-yl)pyridazin-3-one?
The InChIKey is BGAOVPCOFSIECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-5-1-7(11)10(9-2-5)6-3-12-4-6/h1-2,6H,3-4H2.
What are the key properties of 5-chloro-2-(oxetan-3-yl)pyridazin-3-one?
5-chloro-2-(oxetan-3-yl)pyridazin-3-one has a molecular weight of 186.60 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxetan-3-yl)pyridazin-3-one is sourced from PubChem (CID 172614640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).