5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol

C9H14ClN3O — CID 22024220

IUPAC5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol
SMILESOCCCCCNc1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3O/c10-8-4-5-9(13-12-8)11-6-2-1-3-7-14/h4-5,14H,1-3,6-7H2,(H,11,13)
InChIKeyFEEQCYYAGCVORZ-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.70
Rot. Bonds6

About 5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol

5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol (PubChem CID 22024220) 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-1-ol.

Molecular Properties

Compound Name5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol
PubChem CID22024220
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol
SMILESOCCCCCNc1ccc(Cl)nn1
InChIInChI=1S/C9H14ClN3O/c10-8-4-5-9(13-12-8)11-6-2-1-3-7-14/h4-5,14H,1-3,6-7H2,(H,11,13)
InChIKeyFEEQCYYAGCVORZ-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol (CID 22024220) is 5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol is OCCCCCNc1ccc(Cl)nn1.
What is the InChIKey of 5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol?
The InChIKey is FEEQCYYAGCVORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-8-4-5-9(13-12-8)11-6-2-1-3-7-14/h4-5,14H,1-3,6-7H2,(H,11,13).
What are the key properties of 5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol?
5-[(6-chloropyridazin-3-yl)amino]pentan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.70, 6 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-1-ol is sourced from PubChem (CID 22024220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).