4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one

C20H28N4O2 — CID 51057876

IUPAC4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one
SMILESCCCCCOc1ccc(-c2n[nH]c(=O)cc2N2CCN(C)CC2)cc1
InChIInChI=1S/C20H28N4O2/c1-3-4-5-14-26-17-8-6-16(7-9-17)20-18(15-19(25)21-22-20)24-12-10-23(2)11-13-24/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,25)
InChIKeyLMGGJGNJFJAQRH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.76
Rot. Bonds7

About 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one

4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one (PubChem CID 51057876) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one
PubChem CID51057876
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one
SMILESCCCCCOc1ccc(-c2n[nH]c(=O)cc2N2CCN(C)CC2)cc1
InChIInChI=1S/C20H28N4O2/c1-3-4-5-14-26-17-8-6-16(7-9-17)20-18(15-19(25)21-22-20)24-12-10-23(2)11-13-24/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,25)
InChIKeyLMGGJGNJFJAQRH-UHFFFAOYSA-N
XLogP2.76
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
CID 67762808
1,4-bis(4-hexoxyphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 162196378
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
CID 112798089
2-(4-methylpiperazin-1-yl)-1-(4-octadecoxyphenyl)ethanone
CID 170861782
2-[5,9-bis(4-octadecoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-1,5,9-triazacyclododec-1-yl]-5-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102041904
2-[5,9-bis(4-decoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-1,5,9-triazacyclododec-1-yl]-5-decoxycyclohepta-2,4,6-trien-1-one
CID 102041905
3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one
CID 10852827
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one (CID 51057876) is 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one is CCCCCOc1ccc(-c2n[nH]c(=O)cc2N2CCN(C)CC2)cc1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is LMGGJGNJFJAQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-4-5-14-26-17-8-6-16(7-9-17)20-18(15-19(25)21-22-20)24-12-10-23(2)11-13-24/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,25).
What are the key properties of 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one?
4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 356.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 51057876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).