2-(oxolan-3-yl)pyridazin-3-one

C8H10N2O2 — CID 126857277

IUPAC2-(oxolan-3-yl)pyridazin-3-one
SMILESO=c1cccnn1C1CCOC1
InChIInChI=1S/C8H10N2O2/c11-8-2-1-4-9-10(8)7-3-5-12-6-7/h1-2,4,7H,3,5-6H2
InChIKeyWBVAFUNJEDOCDW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.20
Rot. Bonds1

About 2-(oxolan-3-yl)pyridazin-3-one

2-(oxolan-3-yl)pyridazin-3-one (PubChem CID 126857277) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(oxolan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)pyridazin-3-one
PubChem CID126857277
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(oxolan-3-yl)pyridazin-3-one
SMILESO=c1cccnn1C1CCOC1
InChIInChI=1S/C8H10N2O2/c11-8-2-1-4-9-10(8)7-3-5-12-6-7/h1-2,4,7H,3,5-6H2
InChIKeyWBVAFUNJEDOCDW-UHFFFAOYSA-N
XLogP0.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)pyridazin-3-one?
The IUPAC name of 2-(oxolan-3-yl)pyridazin-3-one (CID 126857277) is 2-(oxolan-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-(oxolan-3-yl)pyridazin-3-one?
The canonical SMILES for 2-(oxolan-3-yl)pyridazin-3-one is O=c1cccnn1C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)pyridazin-3-one?
The InChIKey is WBVAFUNJEDOCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8-2-1-4-9-10(8)7-3-5-12-6-7/h1-2,4,7H,3,5-6H2.
What are the key properties of 2-(oxolan-3-yl)pyridazin-3-one?
2-(oxolan-3-yl)pyridazin-3-one has a molecular weight of 166.18 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)pyridazin-3-one is sourced from PubChem (CID 126857277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).