4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride

C19H24Cl4N4O — CID 67780666

IUPAC4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride
SMILESCl.Cl.O=c1c(Cl)c(Cl)cnn1CCN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H22Cl2N4O.2ClH/c20-17-15-22-25(19(26)18(17)21)14-13-24-11-9-23(10-12-24)8-4-7-16-5-2-1-3-6-16;;/h1-7,15H,8-14H2;2*1H
InChIKeyDARIEJLOYAXCRM-UHFFFAOYSA-N
MW466.24 g/mol
LogP3.72
Rot. Bonds6

About 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride

4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride (PubChem CID 67780666) has the molecular formula C19H24Cl4N4O and a molecular weight of 466.24 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride.

Molecular Properties

Compound Name4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride
PubChem CID67780666
Molecular FormulaC19H24Cl4N4O
Molecular Weight466.24 g/mol
Exact Mass464.07
IUPAC Name4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride
SMILESCl.Cl.O=c1c(Cl)c(Cl)cnn1CCN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H22Cl2N4O.2ClH/c20-17-15-22-25(19(26)18(17)21)14-13-24-11-9-23(10-12-24)8-4-7-16-5-2-1-3-6-16;;/h1-7,15H,8-14H2;2*1H
InChIKeyDARIEJLOYAXCRM-UHFFFAOYSA-N
XLogP3.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 56800369
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
1-[(3,4-dichlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327107
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride?
The IUPAC name of 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride (CID 67780666) is 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride.
What is the SMILES notation for 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride?
The canonical SMILES for 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride is Cl.Cl.O=c1c(Cl)c(Cl)cnn1CCN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride?
The InChIKey is DARIEJLOYAXCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O.2ClH/c20-17-15-22-25(19(26)18(17)21)14-13-24-11-9-23(10-12-24)8-4-7-16-5-2-1-3-6-16;;/h1-7,15H,8-14H2;2*1H.
What are the key properties of 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride?
4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride has a molecular weight of 466.24 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride is sourced from PubChem (CID 67780666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).