6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine

C17H21N7O2S — CID 16579720

IUPAC6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C17H21N7O2S/c1-13(2)14-3-5-15(6-4-14)27(25,26)23-11-9-22(10-12-23)17-8-7-16-18-20-21-24(16)19-17/h3-8,13H,9-12H2,1-2H3
InChIKeyWYHXRHSOELBKRH-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.15
Rot. Bonds4

About 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine

6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 16579720) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID16579720
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C17H21N7O2S/c1-13(2)14-3-5-15(6-4-14)27(25,26)23-11-9-22(10-12-23)17-8-7-16-18-20-21-24(16)19-17/h3-8,13H,9-12H2,1-2H3
InChIKeyWYHXRHSOELBKRH-UHFFFAOYSA-N
XLogP1.15
TPSA96.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16582332
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16582431
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 19684649
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 3320579
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 42949565

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine (CID 16579720) is 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine is CC(C)c1ccc(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)cc1.
What is the InChIKey of 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is WYHXRHSOELBKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-13(2)14-3-5-15(6-4-14)27(25,26)23-11-9-22(10-12-23)17-8-7-16-18-20-21-24(16)19-17/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 387.47 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 16579720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).