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

C8H7N7S2 — CID 169499194

IUPAC5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCSc1nc(N)n2nc(-c3cscn3)nc2n1
InChIInChI=1S/C8H7N7S2/c1-16-8-12-6(9)15-7(13-8)11-5(14-15)4-2-17-3-10-4/h2-3H,1H3,(H2,9,11,12,13,14)
InChIKeyADLDOYKCKOFAQK-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.95
Rot. Bonds2

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

5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 169499194) has the molecular formula C8H7N7S2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID169499194
Molecular FormulaC8H7N7S2
Molecular Weight265.33 g/mol
Exact Mass265.02
IUPAC Name5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCSc1nc(N)n2nc(-c3cscn3)nc2n1
InChIInChI=1S/C8H7N7S2/c1-16-8-12-6(9)15-7(13-8)11-5(14-15)4-2-17-3-10-4/h2-3H,1H3,(H2,9,11,12,13,14)
InChIKeyADLDOYKCKOFAQK-UHFFFAOYSA-N
XLogP0.95
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 169499194) is 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CSc1nc(N)n2nc(-c3cscn3)nc2n1.
What is the InChIKey of 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is ADLDOYKCKOFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7S2/c1-16-8-12-6(9)15-7(13-8)11-5(14-15)4-2-17-3-10-4/h2-3H,1H3,(H2,9,11,12,13,14).
What are the key properties of 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 265.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 169499194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).