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

C16H19N7O2S — CID 16582332

IUPAC6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)c1
InChIInChI=1S/C16H19N7O2S/c1-12-3-4-13(2)14(11-12)26(24,25)22-9-7-21(8-10-22)16-6-5-15-17-19-20-23(15)18-16/h3-6,11H,7-10H2,1-2H3
InChIKeyJRPQPLGMXXUBJK-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.65
Rot. Bonds3

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

6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 16582332) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID16582332
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC Name6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)c1
InChIInChI=1S/C16H19N7O2S/c1-12-3-4-13(2)14(11-12)26(24,25)22-9-7-21(8-10-22)16-6-5-15-17-19-20-23(15)18-16/h3-6,11H,7-10H2,1-2H3
InChIKeyJRPQPLGMXXUBJK-UHFFFAOYSA-N
XLogP0.65
TPSA96.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489
6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16579720
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 16582431
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpyrazol-1-yl)pyridazine
CID 121034214
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921727
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
1-(2,5-dimethylphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 9111459
4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537658
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 121072481
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-imidazol-1-yl-2-methylpyrimidine
CID 56699356
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine (CID 16582332) is 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)c1.
What is the InChIKey of 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is JRPQPLGMXXUBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2S/c1-12-3-4-13(2)14(11-12)26(24,25)22-9-7-21(8-10-22)16-6-5-15-17-19-20-23(15)18-16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 373.44 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 16582332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).