4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one

C20H27N5O — CID 44596437

IUPAC4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one
SMILESC=Cc1cnn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N
InChIInChI=1S/C20H27N5O/c1-3-17-15-22-25(20(26)19(17)21)10-4-9-23-11-13-24(14-12-23)18-7-5-16(2)6-8-18/h3,5-8,15H,1,4,9-14,21H2,2H3
InChIKeyUDFDOVNUKRNPDE-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.99
Rot. Bonds6

About 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one

4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one (PubChem CID 44596437) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one.

Molecular Properties

Compound Name4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one
PubChem CID44596437
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one
SMILESC=Cc1cnn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N
InChIInChI=1S/C20H27N5O/c1-3-17-15-22-25(20(26)19(17)21)10-4-9-23-11-13-24(14-12-23)18-7-5-16(2)6-8-18/h3,5-8,15H,1,4,9-14,21H2,2H3
InChIKeyUDFDOVNUKRNPDE-UHFFFAOYSA-N
XLogP1.99
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one
CID 44596765
4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one
CID 44596866
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine
CID 10518421
2-[4-[4-(4-iodophenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 54589053
2-amino-3-[3-[4-(4-methylphenyl)piperazin-1-yl]propylamino]naphthalene-1,4-dione
CID 143764711
3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 13320378
5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67373850
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 67312056
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
(Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine
CID 171081629
4-amino-5-(1-hydroxyethyl)-6-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one
CID 44596861
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The IUPAC name of 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one (CID 44596437) is 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one.
What is the SMILES notation for 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The canonical SMILES for 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one is C=Cc1cnn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N.
What is the InChIKey of 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The InChIKey is UDFDOVNUKRNPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-17-15-22-25(20(26)19(17)21)10-4-9-23-11-13-24(14-12-23)18-7-5-16(2)6-8-18/h3,5-8,15H,1,4,9-14,21H2,2H3.
What are the key properties of 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one has a molecular weight of 353.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one is sourced from PubChem (CID 44596437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).