4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one

C15H12Cl3N5O2 — CID 133305928

IUPAC4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one
SMILESCc1noc(CCNc2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)n1
InChIInChI=1S/C15H12Cl3N5O2/c1-8-21-13(25-22-8)4-5-19-11-7-20-23(15(24)14(11)18)12-3-2-9(16)6-10(12)17/h2-3,6-7,19H,4-5H2,1H3
InChIKeyQKFDLUFNSLJDER-UHFFFAOYSA-N
MW400.65 g/mol
LogP3.54
Rot. Bonds5

About 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one

4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one (PubChem CID 133305928) has the molecular formula C15H12Cl3N5O2 and a molecular weight of 400.65 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one
PubChem CID133305928
Molecular FormulaC15H12Cl3N5O2
Molecular Weight400.65 g/mol
Exact Mass399.01
IUPAC Name4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one
SMILESCc1noc(CCNc2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)n1
InChIInChI=1S/C15H12Cl3N5O2/c1-8-21-13(25-22-8)4-5-19-11-7-20-23(15(24)14(11)18)12-3-2-9(16)6-10(12)17/h2-3,6-7,19H,4-5H2,1H3
InChIKeyQKFDLUFNSLJDER-UHFFFAOYSA-N
XLogP3.54
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one (CID 133305928) is 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one is Cc1noc(CCNc2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)n1.
What is the InChIKey of 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one?
The InChIKey is QKFDLUFNSLJDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N5O2/c1-8-21-13(25-22-8)4-5-19-11-7-20-23(15(24)14(11)18)12-3-2-9(16)6-10(12)17/h2-3,6-7,19H,4-5H2,1H3.
What are the key properties of 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one?
4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one has a molecular weight of 400.65 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dichlorophenyl)-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 133305928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).