2-(3-hydroxypropyl)-6-methoxypyridazin-3-one

C8H12N2O3 — CID 105061943

IUPAC2-(3-hydroxypropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCO)n1
InChIInChI=1S/C8H12N2O3/c1-13-7-3-4-8(12)10(9-7)5-2-6-11/h3-4,11H,2,5-6H2,1H3
InChIKeyRMHAUDXSLTZGAO-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.37
Rot. Bonds4

About 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one

2-(3-hydroxypropyl)-6-methoxypyridazin-3-one (PubChem CID 105061943) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-6-methoxypyridazin-3-one
PubChem CID105061943
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name2-(3-hydroxypropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCO)n1
InChIInChI=1S/C8H12N2O3/c1-13-7-3-4-8(12)10(9-7)5-2-6-11/h3-4,11H,2,5-6H2,1H3
InChIKeyRMHAUDXSLTZGAO-UHFFFAOYSA-N
XLogP-0.37
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 ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one (CID 105061943) is 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCO)n1.
What is the InChIKey of 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one?
The InChIKey is RMHAUDXSLTZGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-13-7-3-4-8(12)10(9-7)5-2-6-11/h3-4,11H,2,5-6H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one?
2-(3-hydroxypropyl)-6-methoxypyridazin-3-one has a molecular weight of 184.20 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).