6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine

C17H20FN9O2S — CID 122334241

IUPAC6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[nH]n4)c3)CC2)nn1
InChIInChI=1S/C17H20FN9O2S/c1-25(2)15-5-6-16(20-19-15)26-7-9-27(10-8-26)30(28,29)12-3-4-14(18)13(11-12)17-21-23-24-22-17/h3-6,11H,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyOAFUAUSYGHHIAD-UHFFFAOYSA-N
MW433.47 g/mol
LogP0.37
Rot. Bonds5

About 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine

6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine (PubChem CID 122334241) has the molecular formula C17H20FN9O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
PubChem CID122334241
Molecular FormulaC17H20FN9O2S
Molecular Weight433.47 g/mol
Exact Mass433.14
IUPAC Name6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
SMILESCN(C)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[nH]n4)c3)CC2)nn1
InChIInChI=1S/C17H20FN9O2S/c1-25(2)15-5-6-16(20-19-15)26-7-9-27(10-8-26)30(28,29)12-3-4-14(18)13(11-12)17-21-23-24-22-17/h3-6,11H,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyOAFUAUSYGHHIAD-UHFFFAOYSA-N
XLogP0.37
TPSA124.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazine
CID 122339408
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351561
4-[5-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122355814
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349687
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053001
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053007
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 122334206
5-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 122334219
N,N-dimethyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121053040
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 122334199
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122320087
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine (CID 122334241) is 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine is CN(C)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[nH]n4)c3)CC2)nn1.
What is the InChIKey of 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
The InChIKey is OAFUAUSYGHHIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN9O2S/c1-25(2)15-5-6-16(20-19-15)26-7-9-27(10-8-26)30(28,29)12-3-4-14(18)13(11-12)17-21-23-24-22-17/h3-6,11H,7-10H2,1-2H3,(H,21,22,23,24).
What are the key properties of 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine?
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine has a molecular weight of 433.47 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 122334241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).