4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one

C19H22Cl2N4O2S — CID 60502593

IUPAC4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2(N3CCOCC3)CCSC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N4O2S/c20-14-1-3-15(4-2-14)25-18(26)17(21)16(11-23-25)22-12-19(5-10-28-13-19)24-6-8-27-9-7-24/h1-4,11,22H,5-10,12-13H2
InChIKeyAMYNIPLHLZZQRY-UHFFFAOYSA-N
MW441.38 g/mol
LogP3.16
Rot. Bonds5

About 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one

4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one (PubChem CID 60502593) has the molecular formula C19H22Cl2N4O2S and a molecular weight of 441.38 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one
PubChem CID60502593
Molecular FormulaC19H22Cl2N4O2S
Molecular Weight441.38 g/mol
Exact Mass440.08
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one
SMILESO=c1c(Cl)c(NCC2(N3CCOCC3)CCSC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N4O2S/c20-14-1-3-15(4-2-14)25-18(26)17(21)16(11-23-25)22-12-19(5-10-28-13-19)24-6-8-27-9-7-24/h1-4,11,22H,5-10,12-13H2
InChIKeyAMYNIPLHLZZQRY-UHFFFAOYSA-N
XLogP3.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one (CID 60502593) is 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one is O=c1c(Cl)c(NCC2(N3CCOCC3)CCSC2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one?
The InChIKey is AMYNIPLHLZZQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2S/c20-14-1-3-15(4-2-14)25-18(26)17(21)16(11-23-25)22-12-19(5-10-28-13-19)24-6-8-27-9-7-24/h1-4,11,22H,5-10,12-13H2.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one has a molecular weight of 441.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 60502593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).