N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

C24H29N5O2S — CID 26843164

IUPACN-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nn2)cc1
InChIInChI=1S/C24H29N5O2S/c1-17-5-7-21(8-6-17)25-23-9-10-24(27-26-23)28-11-13-29(14-12-28)32(30,31)22-16-19(3)18(2)15-20(22)4/h5-10,15-16H,11-14H2,1-4H3,(H,25,26)
InChIKeyBZYOFCDWIBISEA-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.96
Rot. Bonds5

About N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 26843164) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID26843164
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC NameN-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nn2)cc1
InChIInChI=1S/C24H29N5O2S/c1-17-5-7-21(8-6-17)25-23-9-10-24(27-26-23)28-11-13-29(14-12-28)32(30,31)22-16-19(3)18(2)15-20(22)4/h5-10,15-16H,11-14H2,1-4H3,(H,25,26)
InChIKeyBZYOFCDWIBISEA-UHFFFAOYSA-N
XLogP3.96
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843165
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 44827469
N-(4-methylphenyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 7178093
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
N-[3-methyl-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 122351544
6-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348823

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 26843164) is N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine is Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is BZYOFCDWIBISEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-17-5-7-21(8-6-17)25-23-9-10-24(27-26-23)28-11-13-29(14-12-28)32(30,31)22-16-19(3)18(2)15-20(22)4/h5-10,15-16H,11-14H2,1-4H3,(H,25,26).
What are the key properties of N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine?
N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 451.60 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 26843164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).