2-(5-amino-6-chloropyridazin-3-yl)ethanol

C6H8ClN3O — CID 117104966

IUPAC2-(5-amino-6-chloropyridazin-3-yl)ethanol
SMILESNc1cc(CCO)nnc1Cl
InChIInChI=1S/C6H8ClN3O/c7-6-5(8)3-4(1-2-11)9-10-6/h3,11H,1-2H2,(H2,8,9)
InChIKeyGFQAMXMIZNZVHR-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.25
Rot. Bonds2

About 2-(5-amino-6-chloropyridazin-3-yl)ethanol

2-(5-amino-6-chloropyridazin-3-yl)ethanol (PubChem CID 117104966) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-(5-amino-6-chloropyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-6-chloropyridazin-3-yl)ethanol
PubChem CID117104966
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name2-(5-amino-6-chloropyridazin-3-yl)ethanol
SMILESNc1cc(CCO)nnc1Cl
InChIInChI=1S/C6H8ClN3O/c7-6-5(8)3-4(1-2-11)9-10-6/h3,11H,1-2H2,(H2,8,9)
InChIKeyGFQAMXMIZNZVHR-UHFFFAOYSA-N
XLogP0.25
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-chloropyridazin-3-yl)ethanol?
The IUPAC name of 2-(5-amino-6-chloropyridazin-3-yl)ethanol (CID 117104966) is 2-(5-amino-6-chloropyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(5-amino-6-chloropyridazin-3-yl)ethanol?
The canonical SMILES for 2-(5-amino-6-chloropyridazin-3-yl)ethanol is Nc1cc(CCO)nnc1Cl.
What is the InChIKey of 2-(5-amino-6-chloropyridazin-3-yl)ethanol?
The InChIKey is GFQAMXMIZNZVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-6-5(8)3-4(1-2-11)9-10-6/h3,11H,1-2H2,(H2,8,9).
What are the key properties of 2-(5-amino-6-chloropyridazin-3-yl)ethanol?
2-(5-amino-6-chloropyridazin-3-yl)ethanol has a molecular weight of 173.60 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-chloropyridazin-3-yl)ethanol is sourced from PubChem (CID 117104966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).