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

C14H13F2N7O2S — CID 16582431

IUPAC6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C14H13F2N7O2S/c15-10-2-1-3-11(16)14(10)26(24,25)22-8-6-21(7-9-22)13-5-4-12-17-19-20-23(12)18-13/h1-5H,6-9H2
InChIKeyPDTXTZRQNHJJQM-UHFFFAOYSA-N
MW381.37 g/mol
LogP0.31
Rot. Bonds3

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

6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 16582431) has the molecular formula C14H13F2N7O2S and a molecular weight of 381.37 g/mol. Its IUPAC name is 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID16582431
Molecular FormulaC14H13F2N7O2S
Molecular Weight381.37 g/mol
Exact Mass381.08
IUPAC Name6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C14H13F2N7O2S/c15-10-2-1-3-11(16)14(10)26(24,25)22-8-6-21(7-9-22)13-5-4-12-17-19-20-23(12)18-13/h1-5H,6-9H2
InChIKeyPDTXTZRQNHJJQM-UHFFFAOYSA-N
XLogP0.31
TPSA96.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine (CID 16582431) is 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine is O=S(=O)(c1c(F)cccc1F)N1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is PDTXTZRQNHJJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N7O2S/c15-10-2-1-3-11(16)14(10)26(24,25)22-8-6-21(7-9-22)13-5-4-12-17-19-20-23(12)18-13/h1-5H,6-9H2.
What are the key properties of 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 381.37 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 16582431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).