3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine

C13H15N7S — CID 114353641

About 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine

3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine (PubChem CID 114353641) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine
• PubChem CID: 114353641
• Molecular Formula: C13H15N7S
• Molecular Weight: 301.38 g/mol
• Exact Mass: 301.11
• IUPAC Name: 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine
• SMILES: Nc1nccnc1-c1nn2c(C3CCCCC3)nnc2s1
• InChI: InChI=1S/C13H15N7S/c14-10-9(15-6-7-16-10)12-19-20-11(17-18-13(20)21-12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,14,16)
• InChIKey: DGEWJEBBUOWENZ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 94.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.38
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine?

The IUPAC name of 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine (CID 114353641) is 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine.

What is the SMILES notation for 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine?

The canonical SMILES for 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine is Nc1nccnc1-c1nn2c(C3CCCCC3)nnc2s1.

What is the InChIKey of 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine?

The InChIKey is DGEWJEBBUOWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c14-10-9(15-6-7-16-10)12-19-20-11(17-18-13(20)21-12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,14,16).

What are the key properties of 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine?

3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine has a molecular weight of 301.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine is sourced from PubChem (CID 114353641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).