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

C10H9F3N8S — CID 17409069

IUPAC6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)n1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C10H9F3N8S/c1-5(2)20-9(16-18-19-20)22-7-4-3-6-14-15-8(10(11,12)13)21(6)17-7/h3-5H,1-2H3
InChIKeyQHKISXXAJHZSLO-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.86
Rot. Bonds3

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

6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 17409069) has the molecular formula C10H9F3N8S and a molecular weight of 330.30 g/mol. Its IUPAC name is 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID17409069
Molecular FormulaC10H9F3N8S
Molecular Weight330.30 g/mol
Exact Mass330.06
IUPAC Name6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)n1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C10H9F3N8S/c1-5(2)20-9(16-18-19-20)22-7-4-3-6-14-15-8(10(11,12)13)21(6)17-7/h3-5H,1-2H3
InChIKeyQHKISXXAJHZSLO-UHFFFAOYSA-N
XLogP1.86
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[1-(Oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16605630
1,2,4-Triazino[4,3-b]pyridazine, 3-trifluoromethyl-6-(2-thiazolin-2-ylthio)-
CID 627694
2-[[3-(1,1,2,2,2-Pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-4,5-dihydro-1,3-thiazole
CID 172003449
6-(1-Methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17422152
6-(1-Cyclopropyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17449510
2-Methylsulfanyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole
CID 17453143
N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 17466846
N-tert-butyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18142373
6-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 18150239
6-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 18150255
6-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 18155768
3-Methyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,2,4-triazol-4-amine
CID 24587864

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 17409069) is 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)n1nnnc1Sc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QHKISXXAJHZSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N8S/c1-5(2)20-9(16-18-19-20)22-7-4-3-6-14-15-8(10(11,12)13)21(6)17-7/h3-5H,1-2H3.
What are the key properties of 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 330.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 17409069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).