2-(2-aminoethyl)-4,5-dichloropyridazin-3-one

C6H7Cl2N3O — CID 59134316

IUPAC2-(2-aminoethyl)-4,5-dichloropyridazin-3-one
SMILESNCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H7Cl2N3O/c7-4-3-10-11(2-1-9)6(12)5(4)8/h3H,1-2,9H2
InChIKeyZNGDJGGOJPFPLV-UHFFFAOYSA-N
MW208.05 g/mol
LogP0.51
Rot. Bonds2

About 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one

2-(2-aminoethyl)-4,5-dichloropyridazin-3-one (PubChem CID 59134316) has the molecular formula C6H7Cl2N3O and a molecular weight of 208.05 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4,5-dichloropyridazin-3-one
PubChem CID59134316
Molecular FormulaC6H7Cl2N3O
Molecular Weight208.05 g/mol
Exact Mass207.00
IUPAC Name2-(2-aminoethyl)-4,5-dichloropyridazin-3-one
SMILESNCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H7Cl2N3O/c7-4-3-10-11(2-1-9)6(12)5(4)8/h3H,1-2,9H2
InChIKeyZNGDJGGOJPFPLV-UHFFFAOYSA-N
XLogP0.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one (CID 59134316) is 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one is NCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one?
The InChIKey is ZNGDJGGOJPFPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O/c7-4-3-10-11(2-1-9)6(12)5(4)8/h3H,1-2,9H2.
What are the key properties of 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one?
2-(2-aminoethyl)-4,5-dichloropyridazin-3-one has a molecular weight of 208.05 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 59134316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).