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

C16H20N6O2S — CID 122348021

IUPAC6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
SMILESO=S(=O)(C1CC1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C16H20N6O2S/c23-25(24,14-1-2-14)22-11-9-21(10-12-22)16-4-3-15(19-20-16)18-13-5-7-17-8-6-13/h3-8,14H,1-2,9-12H2,(H,17,18,19)
InChIKeyAKNQTDNLLCCEBH-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.23
Rot. Bonds5

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

6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine (PubChem CID 122348021) 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-4-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
PubChem CID122348021
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
SMILESO=S(=O)(C1CC1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C16H20N6O2S/c23-25(24,14-1-2-14)22-11-9-21(10-12-22)16-4-3-15(19-20-16)18-13-5-7-17-8-6-13/h3-8,14H,1-2,9-12H2,(H,17,18,19)
InChIKeyAKNQTDNLLCCEBH-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-3-ylpyridazin-3-amine
CID 122347764
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347928
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 42112005
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
6-piperazin-1-yl-N-pyridin-4-ylpyridazin-3-amine
CID 99980102
6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 122348014
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 121065235
3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339362
6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine?
The IUPAC name of 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine (CID 122348021) is 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine.
What is the SMILES notation for 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine?
The canonical SMILES for 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine is O=S(=O)(C1CC1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1.
What is the InChIKey of 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine?
The InChIKey is AKNQTDNLLCCEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c23-25(24,14-1-2-14)22-11-9-21(10-12-22)16-4-3-15(19-20-16)18-13-5-7-17-8-6-13/h3-8,14H,1-2,9-12H2,(H,17,18,19).
What are the key properties of 6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine?
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-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-4-ylpyridazin-3-amine is sourced from PubChem (CID 122348021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).