4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one

C8H11Cl2N3O — CID 19817595

IUPAC4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one
SMILESCC(N(C)C)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H11Cl2N3O/c1-5(12(2)3)13-8(14)7(10)6(9)4-11-13/h4-5H,1-3H3
InChIKeyWVUOSJXYGBOUKX-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.63
Rot. Bonds2

About 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one

4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 19817595) has the molecular formula C8H11Cl2N3O and a molecular weight of 236.10 g/mol. Its IUPAC name is 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID19817595
Molecular FormulaC8H11Cl2N3O
Molecular Weight236.10 g/mol
Exact Mass235.03
IUPAC Name4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one
SMILESCC(N(C)C)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H11Cl2N3O/c1-5(12(2)3)13-8(14)7(10)6(9)4-11-13/h4-5H,1-3H3
InChIKeyWVUOSJXYGBOUKX-UHFFFAOYSA-N
XLogP1.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one (CID 19817595) is 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one is CC(N(C)C)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is WVUOSJXYGBOUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O/c1-5(12(2)3)13-8(14)7(10)6(9)4-11-13/h4-5H,1-3H3.
What are the key properties of 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one?
4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 236.10 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[1-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 19817595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).