4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C19H16N6OS — CID 27060148

About 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 27060148) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

• Compound Name: 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• PubChem CID: 27060148
• Molecular Formula: C19H16N6OS
• Molecular Weight: 376.45 g/mol
• Exact Mass: 376.11
• IUPAC Name: 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• SMILES: Cc1cccn2cc(CSc3nnc4n(C)c(=O)c5ccccc5n34)nc12
• InChI: InChI=1S/C19H16N6OS/c1-12-6-5-9-24-10-13(20-16(12)24)11-27-19-22-21-18-23(2)17(26)14-7-3-4-8-15(14)25(18)19/h3-10H,11H2,1-2H3
• InChIKey: IOIBOSUDVUMZFM-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 69.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.45
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The IUPAC name of 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 27060148) is 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

What is the SMILES notation for 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The canonical SMILES for 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1cccn2cc(CSc3nnc4n(C)c(=O)c5ccccc5n34)nc12.

What is the InChIKey of 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The InChIKey is IOIBOSUDVUMZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-12-6-5-9-24-10-13(20-16(12)24)11-27-19-22-21-18-23(2)17(26)14-7-3-4-8-15(14)25(18)19/h3-10H,11H2,1-2H3.

What are the key properties of 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 376.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 27060148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).