4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide

C20H18BrCl2N3O2 — CID 12688606

IUPAC4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide
SMILESBr.CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN)c1=O
InChIInChI=1S/C20H17Cl2N3O2.BrH/c1-12(26)17-18(13-2-6-15(21)7-3-13)19(14-4-8-16(22)9-5-14)24-25(11-10-23)20(17)27;/h2-9H,10-11,23H2,1H3;1H
InChIKeyUGAXHEZXCIBHHZ-UHFFFAOYSA-N
MW483.19 g/mol
LogP4.62
Rot. Bonds5

About 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide

4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide (PubChem CID 12688606) has the molecular formula C20H18BrCl2N3O2 and a molecular weight of 483.19 g/mol. Its IUPAC name is 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide.

Molecular Properties

Compound Name4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide
PubChem CID12688606
Molecular FormulaC20H18BrCl2N3O2
Molecular Weight483.19 g/mol
Exact Mass481.00
IUPAC Name4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide
SMILESBr.CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN)c1=O
InChIInChI=1S/C20H17Cl2N3O2.BrH/c1-12(26)17-18(13-2-6-15(21)7-3-13)19(14-4-8-16(22)9-5-14)24-25(11-10-23)20(17)27;/h2-9H,10-11,23H2,1H3;1H
InChIKeyUGAXHEZXCIBHHZ-UHFFFAOYSA-N
XLogP4.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.19
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-2-(2'-hydroxyethyl)-5,6-bis(4-chlorophenyl)-2H-pyridazin-3-one
CID 100711
5-Acetyl-3,4-bis(4-chlorophenyl)-6(1H)-pyridazinone
CID 439087
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(1-phenylethyl)propanamide
CID 5046315
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 3617297
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 5046316
4-Acetyl-5,6-bis(4-chlorophenyl)-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 336676
3(2H)-Pyridazinone, 4-acetyl-5,6-bis(4-chlorophenyl)-2-(2-(formyloxy)ethyl)-
CID 3061054
3-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2-phenylethyl)propanamide
CID 3611297
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(diethylamino)ethyl]propanamide
CID 5046062
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-phenylethyl)acetamide
CID 4423410

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide?
The IUPAC name of 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide (CID 12688606) is 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide.
What is the SMILES notation for 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide?
The canonical SMILES for 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide is Br.CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN)c1=O.
What is the InChIKey of 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide?
The InChIKey is UGAXHEZXCIBHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2.BrH/c1-12(26)17-18(13-2-6-15(21)7-3-13)19(14-4-8-16(22)9-5-14)24-25(11-10-23)20(17)27;/h2-9H,10-11,23H2,1H3;1H.
What are the key properties of 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide?
4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide has a molecular weight of 483.19 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-(2-aminoethyl)-5,6-bis(4-chlorophenyl)pyridazin-3-one;hydrobromide is sourced from PubChem (CID 12688606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).