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

C7H8N6S — CID 66598795

IUPAC5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole
SMILESc1nsc(-c2nnc3n2CCNC3)n1
InChIInChI=1S/C7H8N6S/c1-2-13-5(3-8-1)11-12-6(13)7-9-4-10-14-7/h4,8H,1-3H2
InChIKeySVTCMUVJFZIAQG-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.10
Rot. Bonds1

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

5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole (PubChem CID 66598795) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole
PubChem CID66598795
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole
SMILESc1nsc(-c2nnc3n2CCNC3)n1
InChIInChI=1S/C7H8N6S/c1-2-13-5(3-8-1)11-12-6(13)7-9-4-10-14-7/h4,8H,1-3H2
InChIKeySVTCMUVJFZIAQG-UHFFFAOYSA-N
XLogP-0.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole (CID 66598795) is 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole is c1nsc(-c2nnc3n2CCNC3)n1.
What is the InChIKey of 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole?
The InChIKey is SVTCMUVJFZIAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c1-2-13-5(3-8-1)11-12-6(13)7-9-4-10-14-7/h4,8H,1-3H2.
What are the key properties of 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole?
5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole has a molecular weight of 208.25 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 66598795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).