3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol

C10H11F3N4OS — CID 114356354

IUPAC3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1nn2c(C3CCC3)nnc2s1)C(F)(F)F
InChIInChI=1S/C10H11F3N4OS/c11-10(12,13)6(18)4-7-16-17-8(5-2-1-3-5)14-15-9(17)19-7/h5-6,18H,1-4H2
InChIKeyXEZYYTRVJZJCIW-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.92
Rot. Bonds3

About 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol

3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 114356354) has the molecular formula C10H11F3N4OS and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID114356354
Molecular FormulaC10H11F3N4OS
Molecular Weight292.29 g/mol
Exact Mass292.06
IUPAC Name3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1nn2c(C3CCC3)nnc2s1)C(F)(F)F
InChIInChI=1S/C10H11F3N4OS/c11-10(12,13)6(18)4-7-16-17-8(5-2-1-3-5)14-15-9(17)19-7/h5-6,18H,1-4H2
InChIKeyXEZYYTRVJZJCIW-UHFFFAOYSA-N
XLogP1.92
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1-trifluoro-3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-ol
CID 114356323
N-[(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114355890
2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114355869
4-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutanoic acid
CID 114352762
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine
CID 114355673
N-[(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,2,2-trifluoroethanamine
CID 114353628
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355495
6-(chloromethyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355979
5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine
CID 114355934
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355882
3-cyclopentyl-6-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355497

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol (CID 114356354) is 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol is OC(Cc1nn2c(C3CCC3)nnc2s1)C(F)(F)F.
What is the InChIKey of 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is XEZYYTRVJZJCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4OS/c11-10(12,13)6(18)4-7-16-17-8(5-2-1-3-5)14-15-9(17)19-7/h5-6,18H,1-4H2.
What are the key properties of 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol?
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 292.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114356354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).