N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine

C17H24N6O2S — CID 121064712

IUPACN-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(Nc3cc(C)ccn3)nn2)CC1
InChIInChI=1S/C17H24N6O2S/c1-3-12-26(24,25)23-10-8-22(9-11-23)17-5-4-15(20-21-17)19-16-13-14(2)6-7-18-16/h4-7,13H,3,8-12H2,1-2H3,(H,18,19,20)
InChIKeyJKCNHNTZDYOVDY-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.79
Rot. Bonds6

About N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine

N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine (PubChem CID 121064712) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
PubChem CID121064712
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(Nc3cc(C)ccn3)nn2)CC1
InChIInChI=1S/C17H24N6O2S/c1-3-12-26(24,25)23-10-8-22(9-11-23)17-5-4-15(20-21-17)19-16-13-14(2)6-7-18-16/h4-7,13H,3,8-12H2,1-2H3,(H,18,19,20)
InChIKeyJKCNHNTZDYOVDY-UHFFFAOYSA-N
XLogP1.79
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 7178093
6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347043
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 121064749
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122350505
N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122347042
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347534
(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064735
(5-methyl-1,2-oxazol-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346877
(2-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064734
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone
CID 121064730

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine?
The IUPAC name of N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine (CID 121064712) is N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine is CCCS(=O)(=O)N1CCN(c2ccc(Nc3cc(C)ccn3)nn2)CC1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine?
The InChIKey is JKCNHNTZDYOVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-3-12-26(24,25)23-10-8-22(9-11-23)17-5-4-15(20-21-17)19-16-13-14(2)6-7-18-16/h4-7,13H,3,8-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine?
N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine has a molecular weight of 376.49 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine is sourced from PubChem (CID 121064712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).