4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol

C9H14ClN3O — CID 21485893

IUPAC4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3O/c1-6(5-7(2)14)11-9-4-3-8(10)12-13-9/h3-4,6-7,14H,5H2,1-2H3,(H,11,13)
InChIKeyWSZDJKXGPHFFCC-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.70
Rot. Bonds4

About 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol

4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol (PubChem CID 21485893) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
PubChem CID21485893
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3O/c1-6(5-7(2)14)11-9-4-3-8(10)12-13-9/h3-4,6-7,14H,5H2,1-2H3,(H,11,13)
InChIKeyWSZDJKXGPHFFCC-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-chloropyridazin-3-yl)amino]pentan-2-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 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol (CID 21485893) is 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol is CC(O)CC(C)Nc1ccc(Cl)nn1.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol?
The InChIKey is WSZDJKXGPHFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(5-7(2)14)11-9-4-3-8(10)12-13-9/h3-4,6-7,14H,5H2,1-2H3,(H,11,13).
What are the key properties of 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol?
4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 21485893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).