6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine

C17H21F2N5O2S — CID 122342817

IUPAC6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
SMILESCN(C)c1cnnc(N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)c1
InChIInChI=1S/C17H21F2N5O2S/c1-22(2)16-10-17(21-20-11-16)23-3-5-24(6-4-23)27(25,26)12-13-7-14(18)9-15(19)8-13/h7-11H,3-6,12H2,1-2H3
InChIKeyWAGVABUGEWCRDE-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.47
Rot. Bonds5

About 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine

6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine (PubChem CID 122342817) has the molecular formula C17H21F2N5O2S and a molecular weight of 397.45 g/mol. Its IUPAC name is 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine.

Molecular Properties

Compound Name6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
PubChem CID122342817
Molecular FormulaC17H21F2N5O2S
Molecular Weight397.45 g/mol
Exact Mass397.14
IUPAC Name6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
SMILESCN(C)c1cnnc(N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)c1
InChIInChI=1S/C17H21F2N5O2S/c1-22(2)16-10-17(21-20-11-16)23-3-5-24(6-4-23)27(25,26)12-13-7-14(18)9-15(19)8-13/h7-11H,3-6,12H2,1-2H3
InChIKeyWAGVABUGEWCRDE-UHFFFAOYSA-N
XLogP1.47
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 71807510
4-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340585
N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine
CID 91968763
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 122334199
6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 91968767
N-[2-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122342702
6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340404
6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 122342832
4-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidine
CID 122345247
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone
CID 121137222
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122342689

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The IUPAC name of 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine (CID 122342817) is 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine.
What is the SMILES notation for 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The canonical SMILES for 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine is CN(C)c1cnnc(N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)c1.
What is the InChIKey of 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The InChIKey is WAGVABUGEWCRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O2S/c1-22(2)16-10-17(21-20-11-16)23-3-5-24(6-4-23)27(25,26)12-13-7-14(18)9-15(19)8-13/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine has a molecular weight of 397.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-4-amine is sourced from PubChem (CID 122342817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).