6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine

C21H24N6O2S — CID 122347534

IUPAC6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
SMILESCc1ccc(CS(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1
InChIInChI=1S/C21H24N6O2S/c1-17-5-7-18(8-6-17)16-30(28,29)27-14-12-26(13-15-27)21-10-9-20(24-25-21)23-19-4-2-3-11-22-19/h2-11H,12-16H2,1H3,(H,22,23,24)
InChIKeyGYVBFONCNGWFNZ-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.58
Rot. Bonds6

About 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine

6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine (PubChem CID 122347534) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
PubChem CID122347534
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
SMILESCc1ccc(CS(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1
InChIInChI=1S/C21H24N6O2S/c1-17-5-7-18(8-6-17)16-30(28,29)27-14-12-26(13-15-27)21-10-9-20(24-25-21)23-19-4-2-3-11-22-19/h2-11H,12-16H2,1H3,(H,22,23,24)
InChIKeyGYVBFONCNGWFNZ-UHFFFAOYSA-N
XLogP2.58
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351519
6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347043
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347255
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347561
N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121064712
6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347520
N-(4-methylphenyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 7178093
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
N-pyridin-2-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 50947239
6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349223

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The IUPAC name of 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine (CID 122347534) is 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine is Cc1ccc(CS(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1.
What is the InChIKey of 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
The InChIKey is GYVBFONCNGWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-17-5-7-18(8-6-17)16-30(28,29)27-14-12-26(13-15-27)21-10-9-20(24-25-21)23-19-4-2-3-11-22-19/h2-11H,12-16H2,1H3,(H,22,23,24).
What are the key properties of 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine?
6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine has a molecular weight of 424.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine is sourced from PubChem (CID 122347534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).