6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine

C16H20N6O2S — CID 122347764

IUPAC6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(C1CC1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C16H20N6O2S/c23-25(24,14-3-4-14)22-10-8-21(9-11-22)16-6-5-15(19-20-16)18-13-2-1-7-17-12-13/h1-2,5-7,12,14H,3-4,8-11H2,(H,18,19)
InChIKeyLWWXLOYNBPWDBU-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.23
Rot. Bonds5

About 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine

6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine (PubChem CID 122347764) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine
PubChem CID122347764
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(C1CC1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C16H20N6O2S/c23-25(24,14-3-4-14)22-10-8-21(9-11-22)16-6-5-15(19-20-16)18-13-2-1-7-17-12-13/h1-2,5-7,12,14H,3-4,8-11H2,(H,18,19)
InChIKeyLWWXLOYNBPWDBU-UHFFFAOYSA-N
XLogP1.23
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
CID 122348021
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 42111916
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347815
N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121065024
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
1-adamantyl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347614
(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111887
(1-methyltriazol-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347660

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine?
The IUPAC name of 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine (CID 122347764) is 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine.
What is the SMILES notation for 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine?
The canonical SMILES for 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine is O=S(=O)(C1CC1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1.
What is the InChIKey of 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine?
The InChIKey is LWWXLOYNBPWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c23-25(24,14-3-4-14)22-10-8-21(9-11-22)16-6-5-15(19-20-16)18-13-2-1-7-17-12-13/h1-2,5-7,12,14H,3-4,8-11H2,(H,18,19).
What are the key properties of 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine?
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine has a molecular weight of 360.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine is sourced from PubChem (CID 122347764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).