2-(2-aminoethyl)-6-chloropyridazin-3-one

C6H8ClN3O — CID 10773561

IUPAC2-(2-aminoethyl)-6-chloropyridazin-3-one
SMILESNCCn1nc(Cl)ccc1=O
InChIInChI=1S/C6H8ClN3O/c7-5-1-2-6(11)10(9-5)4-3-8/h1-2H,3-4,8H2
InChIKeyAUECGTOYWUFFID-UHFFFAOYSA-N
MW173.60 g/mol
LogP-0.14
Rot. Bonds2

About 2-(2-aminoethyl)-6-chloropyridazin-3-one

2-(2-aminoethyl)-6-chloropyridazin-3-one (PubChem CID 10773561) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-chloropyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-chloropyridazin-3-one
PubChem CID10773561
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name2-(2-aminoethyl)-6-chloropyridazin-3-one
SMILESNCCn1nc(Cl)ccc1=O
InChIInChI=1S/C6H8ClN3O/c7-5-1-2-6(11)10(9-5)4-3-8/h1-2H,3-4,8H2
InChIKeyAUECGTOYWUFFID-UHFFFAOYSA-N
XLogP-0.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-chloropyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-6-chloropyridazin-3-one (CID 10773561) is 2-(2-aminoethyl)-6-chloropyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-chloropyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-6-chloropyridazin-3-one is NCCn1nc(Cl)ccc1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-chloropyridazin-3-one?
The InChIKey is AUECGTOYWUFFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-5-1-2-6(11)10(9-5)4-3-8/h1-2H,3-4,8H2.
What are the key properties of 2-(2-aminoethyl)-6-chloropyridazin-3-one?
2-(2-aminoethyl)-6-chloropyridazin-3-one has a molecular weight of 173.60 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-chloropyridazin-3-one is sourced from PubChem (CID 10773561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).