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

C11H11F3N6S — CID 71861530

IUPAC3-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1nnc2n1CCN(c1nc(C3CC3)ns1)C2
InChIInChI=1S/C11H11F3N6S/c12-11(13,14)9-17-16-7-5-19(3-4-20(7)9)10-15-8(18-21-10)6-1-2-6/h6H,1-5H2
InChIKeyGFZIMNKWKWOFRJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.05
Rot. Bonds2

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

3-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole (PubChem CID 71861530) has the molecular formula C11H11F3N6S and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-cyclopropyl-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-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole
PubChem CID71861530
Molecular FormulaC11H11F3N6S
Molecular Weight316.31 g/mol
Exact Mass316.07
IUPAC Name3-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1nnc2n1CCN(c1nc(C3CC3)ns1)C2
InChIInChI=1S/C11H11F3N6S/c12-11(13,14)9-17-16-7-5-19(3-4-20(7)9)10-15-8(18-21-10)6-1-2-6/h6H,1-5H2
InChIKeyGFZIMNKWKWOFRJ-UHFFFAOYSA-N
XLogP2.05
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-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-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole (CID 71861530) is 3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole is FC(F)(F)c1nnc2n1CCN(c1nc(C3CC3)ns1)C2.
What is the InChIKey of 3-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole?
The InChIKey is GFZIMNKWKWOFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6S/c12-11(13,14)9-17-16-7-5-19(3-4-20(7)9)10-15-8(18-21-10)6-1-2-6/h6H,1-5H2.
What are the key properties of 3-cyclopropyl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole?
3-cyclopropyl-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 316.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-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 71861530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).