6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C19H12Cl2N4O2 — CID 51363329

IUPAC6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccccc1Cl
InChIInChI=1S/C19H12Cl2N4O2/c20-13-7-5-12(6-8-13)16-9-10-18-23-24(19(27)25(18)22-16)11-17(26)14-3-1-2-4-15(14)21/h1-10H,11H2
InChIKeyNPSPNOLWXGVHEJ-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.75
Rot. Bonds4

About 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 51363329) has the molecular formula C19H12Cl2N4O2 and a molecular weight of 399.24 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID51363329
Molecular FormulaC19H12Cl2N4O2
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Name6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccccc1Cl
InChIInChI=1S/C19H12Cl2N4O2/c20-13-7-5-12(6-8-13)16-9-10-18-23-24(19(27)25(18)22-16)11-17(26)14-3-1-2-4-15(14)21/h1-10H,11H2
InChIKeyNPSPNOLWXGVHEJ-UHFFFAOYSA-N
XLogP3.75
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-(4-chlorophenyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 51363332
ethyl 2-[[2-[6-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetyl]amino]benzoate
CID 50843749
2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 55127113
2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273262
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
N-(3-chlorophenyl)-2-(3-oxo-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide
CID 50785524
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 3224557
(2R)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95196545
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 18569757
N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044493
2-[6-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 50785366

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 51363329) is 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccccc1Cl.
What is the InChIKey of 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is NPSPNOLWXGVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O2/c20-13-7-5-12(6-8-13)16-9-10-18-23-24(19(27)25(18)22-16)11-17(26)14-3-1-2-4-15(14)21/h1-10H,11H2.
What are the key properties of 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 399.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[2-(2-chlorophenyl)-2-oxoethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 51363329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).