4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one

C21H19Cl3N4O — CID 19245531

IUPAC4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3cccc(Cl)c3)CC2)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl3N4O/c22-16-6-4-15(5-7-16)14-28-21(29)20(24)19(13-25-28)27-10-8-26(9-11-27)18-3-1-2-17(23)12-18/h1-7,12-13H,8-11,14H2
InChIKeyLEZGBCJINFLNPE-UHFFFAOYSA-N
MW449.77 g/mol
LogP4.58
Rot. Bonds4

About 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 19245531) has the molecular formula C21H19Cl3N4O and a molecular weight of 449.77 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one
PubChem CID19245531
Molecular FormulaC21H19Cl3N4O
Molecular Weight449.77 g/mol
Exact Mass448.06
IUPAC Name4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3cccc(Cl)c3)CC2)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl3N4O/c22-16-6-4-15(5-7-16)14-28-21(29)20(24)19(13-25-28)27-10-8-26(9-11-27)18-3-1-2-17(23)12-18/h1-7,12-13H,8-11,14H2
InChIKeyLEZGBCJINFLNPE-UHFFFAOYSA-N
XLogP4.58
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.77
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one (CID 19245531) is 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCN(c3cccc(Cl)c3)CC2)cnn1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is LEZGBCJINFLNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N4O/c22-16-6-4-15(5-7-16)14-28-21(29)20(24)19(13-25-28)27-10-8-26(9-11-27)18-3-1-2-17(23)12-18/h1-7,12-13H,8-11,14H2.
What are the key properties of 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 449.77 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 19245531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).