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

C9H12N2O2 — CID 126855075

IUPAC2-(oxolan-3-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CCOC1
InChIInChI=1S/C9H12N2O2/c12-9-2-1-4-10-11(9)6-8-3-5-13-7-8/h1-2,4,8H,3,5-7H2
InChIKeyNUZYIUUAOWXOEK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.28
Rot. Bonds2

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

2-(oxolan-3-ylmethyl)pyridazin-3-one (PubChem CID 126855075) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)pyridazin-3-one
PubChem CID126855075
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(oxolan-3-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CCOC1
InChIInChI=1S/C9H12N2O2/c12-9-2-1-4-10-11(9)6-8-3-5-13-7-8/h1-2,4,8H,3,5-7H2
InChIKeyNUZYIUUAOWXOEK-UHFFFAOYSA-N
XLogP0.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Oxolan-3-ylmethylamino)ethyl]pyridazin-3-one
CID 62850694
5-Iodo-2-(oxolan-3-ylmethyl)pyridazin-3-one
CID 114553707
2-[(Oxan-4-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126857268
2-(Oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126857277
6-Methyl-2-[(oxolan-3-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126857289
6-(Dimethylamino)-2-[(oxolan-3-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126857372
6-Amino-2-(oxolan-3-ylmethyl)pyridazin-3-one
CID 130874859

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-(oxolan-3-ylmethyl)pyridazin-3-one (CID 126855075) is 2-(oxolan-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(oxolan-3-ylmethyl)pyridazin-3-one is O=c1cccnn1CC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)pyridazin-3-one?
The InChIKey is NUZYIUUAOWXOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9-2-1-4-10-11(9)6-8-3-5-13-7-8/h1-2,4,8H,3,5-7H2.
What are the key properties of 2-(oxolan-3-ylmethyl)pyridazin-3-one?
2-(oxolan-3-ylmethyl)pyridazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 126855075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).