4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one

C17H16N6O2S — CID 6416231

About 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one

4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 6416231) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one
• PubChem CID: 6416231
• Molecular Formula: C17H16N6O2S
• Molecular Weight: 368.42 g/mol
• Exact Mass: 368.11
• IUPAC Name: 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one
• SMILES: CCn1c2ccccc2c2nnc(SCC(=O)c3[nH]c(=O)[nH]c3C)nc21
• InChI: InChI=1S/C17H16N6O2S/c1-3-23-11-7-5-4-6-10(11)14-15(23)20-17(22-21-14)26-8-12(24)13-9(2)18-16(25)19-13/h4-7H,3,8H2,1-2H3,(H2,18,19,25)
• InChIKey: FZUFOCVRJYMMDI-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 109.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.42
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one (CID 6416231) is 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one is CCn1c2ccccc2c2nnc(SCC(=O)c3[nH]c(=O)[nH]c3C)nc21.

What is the InChIKey of 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one?

The InChIKey is FZUFOCVRJYMMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-3-23-11-7-5-4-6-10(11)14-15(23)20-17(22-21-14)26-8-12(24)13-9(2)18-16(25)19-13/h4-7H,3,8H2,1-2H3,(H2,18,19,25).

What are the key properties of 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one?

4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 368.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 6416231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).