5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol

C9H14ClN3O — CID 106128611

IUPAC5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3O/c1-7(14)3-2-6-11-9-5-4-8(10)12-13-9/h4-5,7,14H,2-3,6H2,1H3,(H,11,13)
InChIKeyXXNPUIVQBMHHQB-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.70
Rot. Bonds5

About 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol

5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol (PubChem CID 106128611) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
PubChem CID106128611
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3O/c1-7(14)3-2-6-11-9-5-4-8(10)12-13-9/h4-5,7,14H,2-3,6H2,1H3,(H,11,13)
InChIKeyXXNPUIVQBMHHQB-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(4-methylpentyl)pyridazin-3-amine
CID 61039068
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 115520523
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine
CID 64598579
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 106136497

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol (CID 106128611) is 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol is CC(O)CCCNc1ccc(Cl)nn1.
What is the InChIKey of 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol?
The InChIKey is XXNPUIVQBMHHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-7(14)3-2-6-11-9-5-4-8(10)12-13-9/h4-5,7,14H,2-3,6H2,1H3,(H,11,13).
What are the key properties of 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol?
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol is sourced from PubChem (CID 106128611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).