2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one

C11H16N2O4 — CID 105062064

IUPAC2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)C2CCOC2)n1
InChIInChI=1S/C11H16N2O4/c1-16-10-2-3-11(15)13(12-10)6-9(14)8-4-5-17-7-8/h2-3,8-9,14H,4-7H2,1H3
InChIKeyAQSMCQUTARYASG-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.35
Rot. Bonds4

About 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one

2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one (PubChem CID 105062064) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one
PubChem CID105062064
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)C2CCOC2)n1
InChIInChI=1S/C11H16N2O4/c1-16-10-2-3-11(15)13(12-10)6-9(14)8-4-5-17-7-8/h2-3,8-9,14H,4-7H2,1H3
InChIKeyAQSMCQUTARYASG-UHFFFAOYSA-N
XLogP-0.35
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-Hydroxy-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 104753221
2-[2-Hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyridazin-3-one
CID 104753230
2-(2-Hydroxy-3-methylpentyl)-6-methoxypyridazin-3-one
CID 105062045
2-(2-Cyclopentyl-2-hydroxyethyl)-6-methoxypyridazin-3-one
CID 105062066
2-[2-Hydroxy-2-(oxolan-3-yl)ethyl]-5-methylpyridazin-3-one
CID 106548984

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one (CID 105062064) is 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(O)C2CCOC2)n1.
What is the InChIKey of 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is AQSMCQUTARYASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-10-2-3-11(15)13(12-10)6-9(14)8-4-5-17-7-8/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one?
2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 240.26 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).