3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine

C11H6F3N5S2 — CID 133432733

IUPAC3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(Sc2n[nH]c(-c3cccs3)n2)nn1
InChIInChI=1S/C11H6F3N5S2/c12-11(13,14)7-3-4-8(17-16-7)21-10-15-9(18-19-10)6-2-1-5-20-6/h1-5H,(H,15,18,19)
InChIKeyLRVIJUMONQTLAH-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.49
Rot. Bonds3

About 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine

3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine (PubChem CID 133432733) has the molecular formula C11H6F3N5S2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
PubChem CID133432733
Molecular FormulaC11H6F3N5S2
Molecular Weight329.33 g/mol
Exact Mass329.00
IUPAC Name3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(Sc2n[nH]c(-c3cccs3)n2)nn1
InChIInChI=1S/C11H6F3N5S2/c12-11(13,14)7-3-4-8(17-16-7)21-10-15-9(18-19-10)6-2-1-5-20-6/h1-5H,(H,15,18,19)
InChIKeyLRVIJUMONQTLAH-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine with MolForge

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Related Compounds

3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133420658
5-thiophen-2-yl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
CID 7857259
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 6927999
(2R)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 100515605
(2R)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7456934
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4274700
1-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7457488
3-pentylsulfanyl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 75415148
2,2,2-trifluoro-N-[3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]acetamide
CID 71968288
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
CID 18708153
3-[(4-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 2427019
1-(azetidin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 38910140

Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine (CID 133432733) is 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(Sc2n[nH]c(-c3cccs3)n2)nn1.
What is the InChIKey of 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine?
The InChIKey is LRVIJUMONQTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5S2/c12-11(13,14)7-3-4-8(17-16-7)21-10-15-9(18-19-10)6-2-1-5-20-6/h1-5H,(H,15,18,19).
What are the key properties of 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine?
3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine has a molecular weight of 329.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 133432733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).