6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one

C19H18Cl2N4O — CID 23647373

IUPAC6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one
SMILESNCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C19H18Cl2N4O/c20-14-6-1-3-8-16(14)24(13-5-12-22)18-10-11-19(26)25(23-18)17-9-4-2-7-15(17)21/h1-4,6-11H,5,12-13,22H2
InChIKeyAPBVMOUFGHLMMC-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.03
Rot. Bonds6

About 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one

6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one (PubChem CID 23647373) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one
PubChem CID23647373
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one
SMILESNCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C19H18Cl2N4O/c20-14-6-1-3-8-16(14)24(13-5-12-22)18-10-11-19(26)25(23-18)17-9-4-2-7-15(17)21/h1-4,6-11H,5,12-13,22H2
InChIKeyAPBVMOUFGHLMMC-UHFFFAOYSA-N
XLogP4.03
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one?
The IUPAC name of 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one (CID 23647373) is 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one is NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl.
What is the InChIKey of 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one?
The InChIKey is APBVMOUFGHLMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c20-14-6-1-3-8-16(14)24(13-5-12-22)18-10-11-19(26)25(23-18)17-9-4-2-7-15(17)21/h1-4,6-11H,5,12-13,22H2.
What are the key properties of 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one?
6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one has a molecular weight of 389.29 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-(3-aminopropyl)-2-chloroanilino]-2-(2-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 23647373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).