6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one

C7H7Cl2N3O2 — CID 10513945

IUPAC6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1nc(N)c(Cl)c(Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O2/c1-3(13)2-12-7(14)5(9)4(8)6(10)11-12/h2H2,1H3,(H2,10,11)
InChIKeyHTCZVUOLRVWHEH-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.72
Rot. Bonds2

About 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one

6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 10513945) has the molecular formula C7H7Cl2N3O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one
PubChem CID10513945
Molecular FormulaC7H7Cl2N3O2
Molecular Weight236.06 g/mol
Exact Mass234.99
IUPAC Name6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1nc(N)c(Cl)c(Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O2/c1-3(13)2-12-7(14)5(9)4(8)6(10)11-12/h2H2,1H3,(H2,10,11)
InChIKeyHTCZVUOLRVWHEH-UHFFFAOYSA-N
XLogP0.72
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one (CID 10513945) is 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1nc(N)c(Cl)c(Cl)c1=O.
What is the InChIKey of 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is HTCZVUOLRVWHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O2/c1-3(13)2-12-7(14)5(9)4(8)6(10)11-12/h2H2,1H3,(H2,10,11).
What are the key properties of 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one?
6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 236.06 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 10513945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).