2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C6H8N6S — CID 25252024

IUPAC2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCCSc1nc2ncnc(N)n2n1
InChIInChI=1S/C6H8N6S/c1-2-13-6-10-5-9-3-8-4(7)12(5)11-6/h3H,2H2,1H3,(H2,7,8,9,10,11)
InChIKeyNWRNGJSUOYNDSQ-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.21
Rot. Bonds2

About 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 25252024) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID25252024
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCCSc1nc2ncnc(N)n2n1
InChIInChI=1S/C6H8N6S/c1-2-13-6-10-5-9-3-8-4(7)12(5)11-6/h3H,2H2,1H3,(H2,7,8,9,10,11)
InChIKeyNWRNGJSUOYNDSQ-UHFFFAOYSA-N
XLogP0.21
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 25252024) is 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is CCSc1nc2ncnc(N)n2n1.
What is the InChIKey of 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is NWRNGJSUOYNDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-2-13-6-10-5-9-3-8-4(7)12(5)11-6/h3H,2H2,1H3,(H2,7,8,9,10,11).
What are the key properties of 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 196.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 25252024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).