5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole

C20H18N6S — CID 7712320

About 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole

5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole (PubChem CID 7712320) has the molecular formula C20H18N6S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

• Compound Name: 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole
• PubChem CID: 7712320
• Molecular Formula: C20H18N6S
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.13
• IUPAC Name: 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole
• SMILES: CCn1c2ccccc2c2nnc(SCc3cn4cc(C)ccc4n3)nc21
• InChI: InChI=1S/C20H18N6S/c1-3-26-16-7-5-4-6-15(16)18-19(26)22-20(24-23-18)27-12-14-11-25-10-13(2)8-9-17(25)21-14/h4-11H,3,12H2,1-2H3
• InChIKey: GRKALIWHHWVHEP-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 60.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?

The IUPAC name of 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole (CID 7712320) is 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole.

What is the SMILES notation for 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?

The canonical SMILES for 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole is CCn1c2ccccc2c2nnc(SCc3cn4cc(C)ccc4n3)nc21.

What is the InChIKey of 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?

The InChIKey is GRKALIWHHWVHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6S/c1-3-26-16-7-5-4-6-15(16)18-19(26)22-20(24-23-18)27-12-14-11-25-10-13(2)8-9-17(25)21-14/h4-11H,3,12H2,1-2H3.

What are the key properties of 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole?

5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole has a molecular weight of 374.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 7712320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).