N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C16H16F3N5O2S — CID 23380883

About N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 23380883) has the molecular formula C16H16F3N5O2S and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
• PubChem CID: 23380883
• Molecular Formula: C16H16F3N5O2S
• Molecular Weight: 399.40 g/mol
• Exact Mass: 399.10
• IUPAC Name: N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
• SMILES: CC(C)Sc1nc2ccc(C(=O)NCCO)cc2n2c(C(F)(F)F)nnc12
• InChI: InChI=1S/C16H16F3N5O2S/c1-8(2)27-14-12-22-23-15(16(17,18)19)24(12)11-7-9(3-4-10(11)21-14)13(26)20-5-6-25/h3-4,7-8,25H,5-6H2,1-2H3,(H,20,26)
• InChIKey: JKFCDSPTHYBOEX-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 92.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.40
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 23380883) is N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CC(C)Sc1nc2ccc(C(=O)NCCO)cc2n2c(C(F)(F)F)nnc12.

What is the InChIKey of N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?

The InChIKey is JKFCDSPTHYBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2S/c1-8(2)27-14-12-22-23-15(16(17,18)19)24(12)11-7-9(3-4-10(11)21-14)13(26)20-5-6-25/h3-4,7-8,25H,5-6H2,1-2H3,(H,20,26).

What are the key properties of N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?

N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 23380883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).