2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one

C10H14N2O3 — CID 104753221

IUPAC2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CC(O)C1CCOC1
InChIInChI=1S/C10H14N2O3/c13-9(8-3-5-15-7-8)6-12-10(14)2-1-4-11-12/h1-2,4,8-9,13H,3,5-7H2
InChIKeyFBGFKOZHSNCKBQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.36
Rot. Bonds3

About 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one

2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one (PubChem CID 104753221) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one
PubChem CID104753221
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CC(O)C1CCOC1
InChIInChI=1S/C10H14N2O3/c13-9(8-3-5-15-7-8)6-12-10(14)2-1-4-11-12/h1-2,4,8-9,13H,3,5-7H2
InChIKeyFBGFKOZHSNCKBQ-UHFFFAOYSA-N
XLogP-0.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one (CID 104753221) is 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one is O=c1cccnn1CC(O)C1CCOC1.
What is the InChIKey of 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The InChIKey is FBGFKOZHSNCKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9(8-3-5-15-7-8)6-12-10(14)2-1-4-11-12/h1-2,4,8-9,13H,3,5-7H2.
What are the key properties of 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one has a molecular weight of 210.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 104753221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).