N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine

C17H20F3N5O3S — CID 122350710

IUPACN-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCCNc1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nn1
InChIInChI=1S/C17H20F3N5O3S/c1-2-21-15-7-8-16(23-22-15)24-9-11-25(12-10-24)29(26,27)14-5-3-13(4-6-14)28-17(18,19)20/h3-8H,2,9-12H2,1H3,(H,21,22)
InChIKeyJBQSEUNLQCGKGG-UHFFFAOYSA-N
MW431.44 g/mol
LogP2.32
Rot. Bonds6

About N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine

N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine (PubChem CID 122350710) has the molecular formula C17H20F3N5O3S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
PubChem CID122350710
Molecular FormulaC17H20F3N5O3S
Molecular Weight431.44 g/mol
Exact Mass431.12
IUPAC NameN-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
SMILESCCNc1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nn1
InChIInChI=1S/C17H20F3N5O3S/c1-2-21-15-7-8-16(23-22-15)24-9-11-25(12-10-24)29(26,27)14-5-3-13(4-6-14)28-17(18,19)20/h3-8H,2,9-12H2,1H3,(H,21,22)
InChIKeyJBQSEUNLQCGKGG-UHFFFAOYSA-N
XLogP2.32
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121064974
5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122350947
N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122350896
3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281647
2-(4-chlorophenoxy)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 122350617
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
6-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 122350940
N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 26626370
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
4-pyrazol-1-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121072473
4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968934
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The IUPAC name of N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine (CID 122350710) is N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine is CCNc1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nn1.
What is the InChIKey of N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
The InChIKey is JBQSEUNLQCGKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3S/c1-2-21-15-7-8-16(23-22-15)24-9-11-25(12-10-24)29(26,27)14-5-3-13(4-6-14)28-17(18,19)20/h3-8H,2,9-12H2,1H3,(H,21,22).
What are the key properties of N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine?
N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine has a molecular weight of 431.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine is sourced from PubChem (CID 122350710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).