5-(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 78108332

IUPAC5-(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(-c2nnc3n2CCNC3C)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
InChIKeyNHHPONYORRMCPP-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.58
Rot. Bonds2

About 5-(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-(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 78108332) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-(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-(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 CID78108332
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name5-(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(-c2nnc3n2CCNC3C)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
InChIKeyNHHPONYORRMCPP-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-(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-(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 78108332) is 5-(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-(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-(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(-c2nnc3n2CCNC3C)n1.
What is the InChIKey of 5-(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-UHFFFAOYSA-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.
What are the key properties of 5-(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-(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-(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 78108332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).