5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole

C11H16N6S — CID 71550326

IUPAC5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(-c2nnc3n2CCN[C@H]3C)n1
InChIInChI=1S/C11H16N6S/c1-6(2)8-13-11(18-16-8)10-15-14-9-7(3)12-4-5-17(9)10/h6-7,12H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyNHHPONYORRMCPP-ZETCQYMHSA-N
MW264.36 g/mol
LogP1.58
Rot. Bonds2

About 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 71550326) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID71550326
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(-c2nnc3n2CCN[C@H]3C)n1
InChIInChI=1S/C11H16N6S/c1-6(2)8-13-11(18-16-8)10-15-14-9-7(3)12-4-5-17(9)10/h6-7,12H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyNHHPONYORRMCPP-ZETCQYMHSA-N
XLogP1.58
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole with MolForge

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Related Compounds

3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-thiadiazol-5-amine
CID 71921384
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 71921387
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
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-thiadiazol-5-amine
CID 71971827
Fezolinetant Impurity 3
CID 71550323
3-propan-2-yl-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164635998
3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
CID 155711739
5-[8-[2-(3,3-Difluoropyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-1,2,4-thiadiazole
CID 162353793
8-methyl-3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586092
3-propan-2-yl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 132393366
3-(1,2,4-Thiadiazol-5-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 66598795
3-methyl-5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
CID 71550324

Frequently Asked Questions

What is the IUPAC name of 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 71550326) is 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(-c2nnc3n2CCN[C@H]3C)n1.
What is the InChIKey of 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is NHHPONYORRMCPP-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N6S/c1-6(2)8-13-11(18-16-8)10-15-14-9-7(3)12-4-5-17(9)10/h6-7,12H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 264.36 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8S)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 71550326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).