2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one

C8H12N2O3 — CID 91026591

IUPAC2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
SMILESCOCC(O)Cn1ncccc1=O
InChIInChI=1S/C8H12N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4,7,11H,5-6H2,1H3
InChIKeyRTKJPJZEDKCFFE-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.75
Rot. Bonds4

About 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one

2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one (PubChem CID 91026591) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
PubChem CID91026591
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
SMILESCOCC(O)Cn1ncccc1=O
InChIInChI=1S/C8H12N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4,7,11H,5-6H2,1H3
InChIKeyRTKJPJZEDKCFFE-UHFFFAOYSA-N
XLogP-0.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one (CID 91026591) is 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one is COCC(O)Cn1ncccc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
The InChIKey is RTKJPJZEDKCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one?
2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one has a molecular weight of 184.20 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one is sourced from PubChem (CID 91026591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).