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

C8H12ClN3O — CID 64911267

IUPAC4-[(6-chloropyridazin-3-yl)amino]butan-2-ol
SMILESCC(O)CCNc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O/c1-6(13)4-5-10-8-3-2-7(9)11-12-8/h2-3,6,13H,4-5H2,1H3,(H,10,12)
InChIKeyZHHXHTNRPIHCIY-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.31
Rot. Bonds4

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

4-[(6-chloropyridazin-3-yl)amino]butan-2-ol (PubChem CID 64911267) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)amino]butan-2-ol
PubChem CID64911267
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name4-[(6-chloropyridazin-3-yl)amino]butan-2-ol
SMILESCC(O)CCNc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O/c1-6(13)4-5-10-8-3-2-7(9)11-12-8/h2-3,6,13H,4-5H2,1H3,(H,10,12)
InChIKeyZHHXHTNRPIHCIY-UHFFFAOYSA-N
XLogP1.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-chloropyridazin-3-yl)amino]butan-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]butan-2-ol?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)amino]butan-2-ol (CID 64911267) is 4-[(6-chloropyridazin-3-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)amino]butan-2-ol is CC(O)CCNc1ccc(Cl)nn1.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)amino]butan-2-ol?
The InChIKey is ZHHXHTNRPIHCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-6(13)4-5-10-8-3-2-7(9)11-12-8/h2-3,6,13H,4-5H2,1H3,(H,10,12).
What are the key properties of 4-[(6-chloropyridazin-3-yl)amino]butan-2-ol?
4-[(6-chloropyridazin-3-yl)amino]butan-2-ol has a molecular weight of 201.66 g/mol, XLogP of 1.31, 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]butan-2-ol is sourced from PubChem (CID 64911267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).