6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C8H5F3N8S — CID 17422152

IUPAC6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C8H5F3N8S/c1-18-7(14-16-17-18)20-5-3-2-4-12-13-6(8(9,10)11)19(4)15-5/h2-3H,1H3
InChIKeyVWLXFSOKRGSTJW-UHFFFAOYSA-N
MW302.25 g/mol
LogP0.82
Rot. Bonds2

About 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 17422152) has the molecular formula C8H5F3N8S and a molecular weight of 302.25 g/mol. Its IUPAC name is 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID17422152
Molecular FormulaC8H5F3N8S
Molecular Weight302.25 g/mol
Exact Mass302.03
IUPAC Name6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C8H5F3N8S/c1-18-7(14-16-17-18)20-5-3-2-4-12-13-6(8(9,10)11)19(4)15-5/h2-3H,1H3
InChIKeyVWLXFSOKRGSTJW-UHFFFAOYSA-N
XLogP0.82
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 17422152) is 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VWLXFSOKRGSTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N8S/c1-18-7(14-16-17-18)20-5-3-2-4-12-13-6(8(9,10)11)19(4)15-5/h2-3H,1H3.
What are the key properties of 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 302.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 17422152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).