[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C19H23ClFN7O — CID 120879135

About [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120879135) has the molecular formula C19H23ClFN7O and a molecular weight of 419.89 g/mol. Its IUPAC name is [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
• PubChem CID: 120879135
• Molecular Formula: C19H23ClFN7O
• Molecular Weight: 419.89 g/mol
• Exact Mass: 419.16
• IUPAC Name: [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
• SMILES: CCc1nc(C(=O)N2CCNCC2c2nccn2C)nn1-c1ccccc1F.Cl
• InChI: InChI=1S/C19H22FN7O.ClH/c1-3-16-23-17(24-27(16)14-7-5-4-6-13(14)20)19(28)26-11-8-21-12-15(26)18-22-9-10-25(18)2;/h4-7,9-10,15,21H,3,8,11-12H2,1-2H3;1H
• InChIKey: UYEACECWFJDRJI-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.89
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?

The IUPAC name of [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120879135) is [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

What is the SMILES notation for [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?

The canonical SMILES for [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is CCc1nc(C(=O)N2CCNCC2c2nccn2C)nn1-c1ccccc1F.Cl.

What is the InChIKey of [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?

The InChIKey is UYEACECWFJDRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O.ClH/c1-3-16-23-17(24-27(16)14-7-5-4-6-13(14)20)19(28)26-11-8-21-12-15(26)18-22-9-10-25(18)2;/h4-7,9-10,15,21H,3,8,11-12H2,1-2H3;1H.

What are the key properties of [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?

[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 419.89 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120879135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).