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

C10H7F3N8S — CID 17449510

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3nnnn3C3CC3)nn12
InChIInChI=1S/C10H7F3N8S/c11-10(12,13)8-15-14-6-3-4-7(17-21(6)8)22-9-16-18-19-20(9)5-1-2-5/h3-5H,1-2H2
InChIKeyAJFCGNXBDMFNIT-UHFFFAOYSA-N
MW328.28 g/mol
LogP1.62
Rot. Bonds3

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

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 17449510) has the molecular formula C10H7F3N8S and a molecular weight of 328.28 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID17449510
Molecular FormulaC10H7F3N8S
Molecular Weight328.28 g/mol
Exact Mass328.05
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3nnnn3C3CC3)nn12
InChIInChI=1S/C10H7F3N8S/c11-10(12,13)8-15-14-6-3-4-7(17-21(6)8)22-9-16-18-19-20(9)5-1-2-5/h3-5H,1-2H2
InChIKeyAJFCGNXBDMFNIT-UHFFFAOYSA-N
XLogP1.62
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 17449510) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Sc3nnnn3C3CC3)nn12.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AJFCGNXBDMFNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N8S/c11-10(12,13)8-15-14-6-3-4-7(17-21(6)8)22-9-16-18-19-20(9)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 328.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 17449510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).