4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide

C24H26FN5O4 — CID 46149799

About 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide

4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 46149799) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
• PubChem CID: 46149799
• Molecular Formula: C24H26FN5O4
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.20
• IUPAC Name: 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
• SMILES: Cc1cccc(-n2nc(C(=O)NCCN3CCOCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1
• InChI: InChI=1S/C24H26FN5O4/c1-17-3-2-4-20(15-17)30-24(33)29(16-18-5-7-19(25)8-6-18)23(32)21(27-30)22(31)26-9-10-28-11-13-34-14-12-28/h2-8,15H,9-14,16H2,1H3,(H,26,31)
• InChIKey: BQPJYVSCXZTFFJ-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 98.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 46149799) is 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is Cc1cccc(-n2nc(C(=O)NCCN3CCOCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1.

What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?

The InChIKey is BQPJYVSCXZTFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-17-3-2-4-20(15-17)30-24(33)29(16-18-5-7-19(25)8-6-18)23(32)21(27-30)22(31)26-9-10-28-11-13-34-14-12-28/h2-8,15H,9-14,16H2,1H3,(H,26,31).

What are the key properties of 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide?

4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46149799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).