2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one

C21H26N4O2 — CID 145478723

IUPAC2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one
SMILESC=Cc1cccc(-n2ncc(N3CCNCC3)c(OCC3(C)CC3)c2=O)c1
InChIInChI=1S/C21H26N4O2/c1-3-16-5-4-6-17(13-16)25-20(26)19(27-15-21(2)7-8-21)18(14-23-25)24-11-9-22-10-12-24/h3-6,13-14,22H,1,7-12,15H2,2H3
InChIKeyQEKLDJSKFXTCKO-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.46
Rot. Bonds6

About 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one

2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one (PubChem CID 145478723) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one
PubChem CID145478723
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one
SMILESC=Cc1cccc(-n2ncc(N3CCNCC3)c(OCC3(C)CC3)c2=O)c1
InChIInChI=1S/C21H26N4O2/c1-3-16-5-4-6-17(13-16)25-20(26)19(27-15-21(2)7-8-21)18(14-23-25)24-11-9-22-10-12-24/h3-6,13-14,22H,1,7-12,15H2,2H3
InChIKeyQEKLDJSKFXTCKO-UHFFFAOYSA-N
XLogP2.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Dimethyl-5-[(2-morpholin-4-ylphenyl)methylamino]pyridazin-3-one
CID 156018996
4-Chloro-2-(3,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
CID 117094760
4-Chloro-2-(2,5-dimethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
CID 117094769
4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 25072102
N-[(4-aminophenyl)methyl]-4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazine-1-sulfonamide
CID 25072425
N-[(3-amino-4-fluorophenyl)methyl]-4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazine-1-sulfonamide
CID 25073043
5-[4-[(3-Aminophenyl)methylsulfonyl]piperazin-1-yl]-2-(3,5-difluorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 25073960
2-(3,5-Difluorophenyl)-4-[(1-ethylcyclopropyl)methoxy]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 57767084
(Z)-N-(3,5-difluorophenyl)-4-imino-2-[(1-methylcyclopropyl)methoxy]-3-piperazin-1-ylbut-2-enamide
CID 57767281
N-[(3-aminophenyl)methyl]-4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazine-1-sulfonamide
CID 57767311
4-[1-(3,5-difluorophenyl)-5-[[1-(fluoromethyl)cyclopropyl]methoxy]-6-oxopyridazin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 57767460
4-[1-(3,5-difluorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]-N-(1-phenylethyl)piperazine-1-sulfonamide
CID 57767614

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one (CID 145478723) is 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one is C=Cc1cccc(-n2ncc(N3CCNCC3)c(OCC3(C)CC3)c2=O)c1.
What is the InChIKey of 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is QEKLDJSKFXTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-16-5-4-6-17(13-16)25-20(26)19(27-15-21(2)7-8-21)18(14-23-25)24-11-9-22-10-12-24/h3-6,13-14,22H,1,7-12,15H2,2H3.
What are the key properties of 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one?
2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 366.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 145478723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).