3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine

C11H16N6S — CID 138684397

IUPAC3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine
SMILESCSc1nc(N)nn2c(C3CCCCC3)nnc12
InChIInChI=1S/C11H16N6S/c1-18-10-9-15-14-8(7-5-3-2-4-6-7)17(9)16-11(12)13-10/h7H,2-6H2,1H3,(H2,12,16)
InChIKeyYYZSUVQTOBYCQO-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.87
Rot. Bonds2

About 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine

3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine (PubChem CID 138684397) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine.

Molecular Properties

Compound Name3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine
PubChem CID138684397
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine
SMILESCSc1nc(N)nn2c(C3CCCCC3)nnc12
InChIInChI=1S/C11H16N6S/c1-18-10-9-15-14-8(7-5-3-2-4-6-7)17(9)16-11(12)13-10/h7H,2-6H2,1H3,(H2,12,16)
InChIKeyYYZSUVQTOBYCQO-UHFFFAOYSA-N
XLogP1.87
TPSA81.99 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine?
The IUPAC name of 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine (CID 138684397) is 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine.
What is the SMILES notation for 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine?
The canonical SMILES for 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine is CSc1nc(N)nn2c(C3CCCCC3)nnc12.
What is the InChIKey of 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine?
The InChIKey is YYZSUVQTOBYCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-18-10-9-15-14-8(7-5-3-2-4-6-7)17(9)16-11(12)13-10/h7H,2-6H2,1H3,(H2,12,16).
What are the key properties of 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine?
3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine has a molecular weight of 264.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8-methylsulfanyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-amine is sourced from PubChem (CID 138684397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).