3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol

C12H19N3O2 — CID 116971340

IUPAC3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol
SMILESOCCCNc1ccc(C2CCOCC2)nn1
InChIInChI=1S/C12H19N3O2/c16-7-1-6-13-12-3-2-11(14-15-12)10-4-8-17-9-5-10/h2-3,10,16H,1,4-9H2,(H,13,15)
InChIKeyNQVGANSIMHJTMO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.16
Rot. Bonds5

About 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol

3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol (PubChem CID 116971340) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol
PubChem CID116971340
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol
SMILESOCCCNc1ccc(C2CCOCC2)nn1
InChIInChI=1S/C12H19N3O2/c16-7-1-6-13-12-3-2-11(14-15-12)10-4-8-17-9-5-10/h2-3,10,16H,1,4-9H2,(H,13,15)
InChIKeyNQVGANSIMHJTMO-UHFFFAOYSA-N
XLogP1.16
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol 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 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol?
The IUPAC name of 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol (CID 116971340) is 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol is OCCCNc1ccc(C2CCOCC2)nn1.
What is the InChIKey of 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol?
The InChIKey is NQVGANSIMHJTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-7-1-6-13-12-3-2-11(14-15-12)10-4-8-17-9-5-10/h2-3,10,16H,1,4-9H2,(H,13,15).
What are the key properties of 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol?
3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 116971340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).