4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one

C21H29N5O2 — CID 44596866

IUPAC4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one
SMILESC=Cc1c(C)nn(CCCN2CCN(c3cccc(OC)c3)CC2)c(=O)c1N
InChIInChI=1S/C21H29N5O2/c1-4-19-16(2)23-26(21(27)20(19)22)10-6-9-24-11-13-25(14-12-24)17-7-5-8-18(15-17)28-3/h4-5,7-8,15H,1,6,9-14,22H2,2-3H3
InChIKeyYRNKYYUUPYVWGG-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.00
Rot. Bonds7

About 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one

4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one (PubChem CID 44596866) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one
PubChem CID44596866
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one
SMILESC=Cc1c(C)nn(CCCN2CCN(c3cccc(OC)c3)CC2)c(=O)c1N
InChIInChI=1S/C21H29N5O2/c1-4-19-16(2)23-26(21(27)20(19)22)10-6-9-24-11-13-25(14-12-24)17-7-5-8-18(15-17)28-3/h4-5,7-8,15H,1,6,9-14,22H2,2-3H3
InChIKeyYRNKYYUUPYVWGG-UHFFFAOYSA-N
XLogP2.00
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-methylphthalazin-1-one
CID 110183574
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
4-amino-5-ethenyl-2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]pyridazin-3-one
CID 44596437
4-amino-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-(1-hydroxyethyl)-6-methylpyridazin-3-one
CID 44596765
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate
CID 15572537
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(3-methoxyphenyl)piperazine
CID 21048741

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one?
The IUPAC name of 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one (CID 44596866) is 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one?
The canonical SMILES for 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one is C=Cc1c(C)nn(CCCN2CCN(c3cccc(OC)c3)CC2)c(=O)c1N.
What is the InChIKey of 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one?
The InChIKey is YRNKYYUUPYVWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-19-16(2)23-26(21(27)20(19)22)10-6-9-24-11-13-25(14-12-24)17-7-5-8-18(15-17)28-3/h4-5,7-8,15H,1,6,9-14,22H2,2-3H3.
What are the key properties of 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one?
4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one has a molecular weight of 383.50 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethenyl-2-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 44596866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).