4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one

C13H10Cl3N3O — CID 47277182

IUPAC4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NC2CC2)c(Cl)c1
InChIInChI=1S/C13H10Cl3N3O/c14-9-5-8(3-4-11(9)18-7-1-2-7)19-13(20)12(16)10(15)6-17-19/h3-7,18H,1-2H2
InChIKeyKEBWRQVWRFNNDG-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.77
Rot. Bonds3

About 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one (PubChem CID 47277182) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one
PubChem CID47277182
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NC2CC2)c(Cl)c1
InChIInChI=1S/C13H10Cl3N3O/c14-9-5-8(3-4-11(9)18-7-1-2-7)19-13(20)12(16)10(15)6-17-19/h3-7,18H,1-2H2
InChIKeyKEBWRQVWRFNNDG-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one (CID 47277182) is 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(NC2CC2)c(Cl)c1.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one?
The InChIKey is KEBWRQVWRFNNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c14-9-5-8(3-4-11(9)18-7-1-2-7)19-13(20)12(16)10(15)6-17-19/h3-7,18H,1-2H2.
What are the key properties of 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one has a molecular weight of 330.60 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-4-(cyclopropylamino)phenyl]pyridazin-3-one is sourced from PubChem (CID 47277182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).