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

C10H14N2O2 — CID 126857268

IUPAC2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CCOCC1
InChIInChI=1S/C10H14N2O2/c13-10-2-1-5-11-12(10)8-9-3-6-14-7-4-9/h1-2,5,9H,3-4,6-8H2
InChIKeyUONCREDCZSLGQT-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.67
Rot. Bonds2

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

2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 126857268) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID126857268
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CCOCC1
InChIInChI=1S/C10H14N2O2/c13-10-2-1-5-11-12(10)8-9-3-6-14-7-4-9/h1-2,5,9H,3-4,6-8H2
InChIKeyUONCREDCZSLGQT-UHFFFAOYSA-N
XLogP0.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-(oxan-4-ylmethyl)pyridazin-3-one (CID 126857268) is 2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(oxan-4-ylmethyl)pyridazin-3-one is O=c1cccnn1CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is UONCREDCZSLGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10-2-1-5-11-12(10)8-9-3-6-14-7-4-9/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 2-(oxan-4-ylmethyl)pyridazin-3-one?
2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 126857268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).