5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one

C18H21Cl2N5O2 — CID 60502796

IUPAC5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESCC(=O)N1CCN(CCNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1
InChIInChI=1S/C18H21Cl2N5O2/c1-13(26)24-10-8-23(9-11-24)7-6-21-16-12-22-25(18(27)17(16)20)15-4-2-14(19)3-5-15/h2-5,12,21H,6-11H2,1H3
InChIKeyWVCMBJHJDSTISP-UHFFFAOYSA-N
MW410.31 g/mol
LogP2.12
Rot. Bonds5

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

5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one (PubChem CID 60502796) has the molecular formula C18H21Cl2N5O2 and a molecular weight of 410.31 g/mol. Its IUPAC name is 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
PubChem CID60502796
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.31 g/mol
Exact Mass409.11
IUPAC Name5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESCC(=O)N1CCN(CCNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1
InChIInChI=1S/C18H21Cl2N5O2/c1-13(26)24-10-8-23(9-11-24)7-6-21-16-12-22-25(18(27)17(16)20)15-4-2-14(19)3-5-15/h2-5,12,21H,6-11H2,1H3
InChIKeyWVCMBJHJDSTISP-UHFFFAOYSA-N
XLogP2.12
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-chloro-2-phenylpyridazin-3-one
CID 17489044
4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925
4-chloro-2-(4-chlorophenyl)-5-(2-cyclopropylethylamino)pyridazin-3-one
CID 133324274
4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoic acid
CID 45319538
4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323547
methyl 4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoate
CID 47020590
N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
CID 60521372
4-chloro-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-methylpyridazin-3-one
CID 14726267
4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
methyl 3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]piperidine-1-carboxylate
CID 133275627
4-chloro-2-(4-chlorophenyl)-5-[[(3S)-oxolan-3-yl]methylamino]pyridazin-3-one
CID 94415319
4-chloro-2-(4-chlorophenyl)-5-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133306790

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one (CID 60502796) is 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one is CC(=O)N1CCN(CCNc2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1.
What is the InChIKey of 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is WVCMBJHJDSTISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O2/c1-13(26)24-10-8-23(9-11-24)7-6-21-16-12-22-25(18(27)17(16)20)15-4-2-14(19)3-5-15/h2-5,12,21H,6-11H2,1H3.
What are the key properties of 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 410.31 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 60502796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).