3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole

C11H13F3N6S — CID 71924202

IUPAC3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C11H13F3N6S/c1-6(2)8-15-10(21-18-8)19-3-4-20-7(5-19)16-17-9(20)11(12,13)14/h6H,3-5H2,1-2H3
InChIKeyIDDFALHCOYPIGJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.29
Rot. Bonds2

About 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole

3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole (PubChem CID 71924202) has the molecular formula C11H13F3N6S and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole
PubChem CID71924202
Molecular FormulaC11H13F3N6S
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C11H13F3N6S/c1-6(2)8-15-10(21-18-8)19-3-4-20-7(5-19)16-17-9(20)11(12,13)14/h6H,3-5H2,1-2H3
InChIKeyIDDFALHCOYPIGJ-UHFFFAOYSA-N
XLogP2.29
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole (CID 71924202) is 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole is CC(C)c1nsc(N2CCn3c(nnc3C(F)(F)F)C2)n1.
What is the InChIKey of 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole?
The InChIKey is IDDFALHCOYPIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6S/c1-6(2)8-15-10(21-18-8)19-3-4-20-7(5-19)16-17-9(20)11(12,13)14/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole?
3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole has a molecular weight of 318.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 71924202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).