2-(oxan-4-yl)pyridazin-3-one

C9H12N2O2 — CID 126857276

IUPAC2-(oxan-4-yl)pyridazin-3-one
SMILESO=c1cccnn1C1CCOCC1
InChIInChI=1S/C9H12N2O2/c12-9-2-1-5-10-11(9)8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyFKXMPTMSGQVOBS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.59
Rot. Bonds1

About 2-(oxan-4-yl)pyridazin-3-one

2-(oxan-4-yl)pyridazin-3-one (PubChem CID 126857276) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(oxan-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(oxan-4-yl)pyridazin-3-one
PubChem CID126857276
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(oxan-4-yl)pyridazin-3-one
SMILESO=c1cccnn1C1CCOCC1
InChIInChI=1S/C9H12N2O2/c12-9-2-1-5-10-11(9)8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyFKXMPTMSGQVOBS-UHFFFAOYSA-N
XLogP0.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)pyridazin-3-one?
The IUPAC name of 2-(oxan-4-yl)pyridazin-3-one (CID 126857276) is 2-(oxan-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-(oxan-4-yl)pyridazin-3-one?
The canonical SMILES for 2-(oxan-4-yl)pyridazin-3-one is O=c1cccnn1C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)pyridazin-3-one?
The InChIKey is FKXMPTMSGQVOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9-2-1-5-10-11(9)8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2-(oxan-4-yl)pyridazin-3-one?
2-(oxan-4-yl)pyridazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)pyridazin-3-one is sourced from PubChem (CID 126857276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).