4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one

C13H12Cl3N3O — CID 117094765

IUPAC4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl
InChIInChI=1S/C13H12Cl3N3O/c1-2-3-17-11-7-18-19(13(20)12(11)16)10-5-8(14)4-9(15)6-10/h4-7,17H,2-3H2,1H3
InChIKeyXGTFHIJGWDETSN-UHFFFAOYSA-N
MW332.62 g/mol
LogP4.01
Rot. Bonds4

About 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one

4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one (PubChem CID 117094765) has the molecular formula C13H12Cl3N3O and a molecular weight of 332.62 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one
PubChem CID117094765
Molecular FormulaC13H12Cl3N3O
Molecular Weight332.62 g/mol
Exact Mass331.00
IUPAC Name4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl
InChIInChI=1S/C13H12Cl3N3O/c1-2-3-17-11-7-18-19(13(20)12(11)16)10-5-8(14)4-9(15)6-10/h4-7,17H,2-3H2,1H3
InChIKeyXGTFHIJGWDETSN-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.62
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one (CID 117094765) is 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is XGTFHIJGWDETSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3O/c1-2-3-17-11-7-18-19(13(20)12(11)16)10-5-8(14)4-9(15)6-10/h4-7,17H,2-3H2,1H3.
What are the key properties of 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one?
4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 332.62 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dichlorophenyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 117094765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).