2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C15H25N3O3 — CID 107705292

IUPAC2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CCCCCCO)c(=O)c2)C1
InChIInChI=1S/C15H25N3O3/c1-21-14-6-8-17(12-14)13-10-15(20)18(16-11-13)7-4-2-3-5-9-19/h10-11,14,19H,2-9,12H2,1H3
InChIKeyWXEOHUGECSUVSM-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.02
Rot. Bonds8

About 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 107705292) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID107705292
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CCCCCCO)c(=O)c2)C1
InChIInChI=1S/C15H25N3O3/c1-21-14-6-8-17(12-14)13-10-15(20)18(16-11-13)7-4-2-3-5-9-19/h10-11,14,19H,2-9,12H2,1H3
InChIKeyWXEOHUGECSUVSM-UHFFFAOYSA-N
XLogP1.02
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-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-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 107705292) is 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn(CCCCCCO)c(=O)c2)C1.
What is the InChIKey of 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is WXEOHUGECSUVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-21-14-6-8-17(12-14)13-10-15(20)18(16-11-13)7-4-2-3-5-9-19/h10-11,14,19H,2-9,12H2,1H3.
What are the key properties of 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 295.38 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 107705292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).