2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone

C24H25N3OS — CID 7416807

About 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone

2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone (PubChem CID 7416807) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone.

Molecular Properties

• Compound Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone
• PubChem CID: 7416807
• Molecular Formula: C24H25N3OS
• Molecular Weight: 403.55 g/mol
• Exact Mass: 403.17
• IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone
• SMILES: Cc1nnc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n1C1CCCCC1
• InChI: InChI=1S/C24H25N3OS/c1-16-25-26-24(27(16)20-8-3-2-4-9-20)29-15-23(28)19-12-11-18-13-17-7-5-6-10-21(17)22(18)14-19/h5-7,10-12,14,20H,2-4,8-9,13,15H2,1H3
• InChIKey: AOEKDDGXKDXQGL-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 47.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.55
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone?

The IUPAC name of 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone (CID 7416807) is 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone.

What is the SMILES notation for 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone?

The canonical SMILES for 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone is Cc1nnc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n1C1CCCCC1.

What is the InChIKey of 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone?

The InChIKey is AOEKDDGXKDXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-16-25-26-24(27(16)20-8-3-2-4-9-20)29-15-23(28)19-12-11-18-13-17-7-5-6-10-21(17)22(18)14-19/h5-7,10-12,14,20H,2-4,8-9,13,15H2,1H3.

What are the key properties of 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone?

2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone has a molecular weight of 403.55 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(9H-fluoren-3-yl)ethanone is sourced from PubChem (CID 7416807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).