2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C10H10N8OS — CID 169499284

IUPAC2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCOc1cncc(-c2nc3nc(SC)nc(N)n3n2)n1
InChIInChI=1S/C10H10N8OS/c1-19-6-4-12-3-5(13-6)7-14-9-16-10(20-2)15-8(11)18(9)17-7/h3-4H,1-2H3,(H2,11,14,15,16,17)
InChIKeyYSTUXCYCNGIYOE-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.29
Rot. Bonds3

About 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 169499284) has the molecular formula C10H10N8OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID169499284
Molecular FormulaC10H10N8OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCOc1cncc(-c2nc3nc(SC)nc(N)n3n2)n1
InChIInChI=1S/C10H10N8OS/c1-19-6-4-12-3-5(13-6)7-14-9-16-10(20-2)15-8(11)18(9)17-7/h3-4H,1-2H3,(H2,11,14,15,16,17)
InChIKeyYSTUXCYCNGIYOE-UHFFFAOYSA-N
XLogP0.29
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 169499284) is 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is COc1cncc(-c2nc3nc(SC)nc(N)n3n2)n1.
What is the InChIKey of 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is YSTUXCYCNGIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8OS/c1-19-6-4-12-3-5(13-6)7-14-9-16-10(20-2)15-8(11)18(9)17-7/h3-4H,1-2H3,(H2,11,14,15,16,17).
What are the key properties of 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 290.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 169499284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).