3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide

C20H20N6OS — CID 18146528

About 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide (PubChem CID 18146528) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide
• PubChem CID: 18146528
• Molecular Formula: C20H20N6OS
• Molecular Weight: 392.49 g/mol
• Exact Mass: 392.14
• IUPAC Name: 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide
• SMILES: CSc1nc2nc(C)c(CCC(=O)Nc3cnc4ccccc4c3)c(C)n2n1
• InChI: InChI=1S/C20H20N6OS/c1-12-16(13(2)26-19(22-12)24-20(25-26)28-3)8-9-18(27)23-15-10-14-6-4-5-7-17(14)21-11-15/h4-7,10-11H,8-9H2,1-3H3,(H,23,27)
• InChIKey: XDAWYZCXXSFEHY-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.49
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide?

The IUPAC name of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide (CID 18146528) is 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide.

What is the SMILES notation for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide?

The canonical SMILES for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide is CSc1nc2nc(C)c(CCC(=O)Nc3cnc4ccccc4c3)c(C)n2n1.

What is the InChIKey of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide?

The InChIKey is XDAWYZCXXSFEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-12-16(13(2)26-19(22-12)24-20(25-26)28-3)8-9-18(27)23-15-10-14-6-4-5-7-17(14)21-11-15/h4-7,10-11H,8-9H2,1-3H3,(H,23,27).

What are the key properties of 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide?

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide has a molecular weight of 392.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 18146528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).