2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide

C22H25F3N4O4 — CID 164590266

About 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide

2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide (PubChem CID 164590266) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide
• PubChem CID: 164590266
• Molecular Formula: C22H25F3N4O4
• Molecular Weight: 466.46 g/mol
• Exact Mass: 466.18
• IUPAC Name: 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide
• SMILES: CCC1CCC(C)N(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2N1
• InChI: InChI=1S/C22H25F3N4O4/c1-4-13-6-5-11(2)28(3)22(33)18-20(31)19(30)15(10-29(18)27-13)21(32)26-9-14-16(24)7-12(23)8-17(14)25/h7-8,10-11,13,27,31H,4-6,9H2,1-3H3,(H,26,32)
• InChIKey: RAFFVXWSTWJMKU-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 103.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.46
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide?

The IUPAC name of 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide (CID 164590266) is 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide.

What is the SMILES notation for 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide?

The canonical SMILES for 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide is CCC1CCC(C)N(C)C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2N1.

What is the InChIKey of 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide?

The InChIKey is RAFFVXWSTWJMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c1-4-13-6-5-11(2)28(3)22(33)18-20(31)19(30)15(10-29(18)27-13)21(32)26-9-14-16(24)7-12(23)8-17(14)25/h7-8,10-11,13,27,31H,4-6,9H2,1-3H3,(H,26,32).

What are the key properties of 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide?

2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide has a molecular weight of 466.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-8-hydroxy-5,6-dimethyl-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-b][1,2,5]triazonine-10-carboxamide is sourced from PubChem (CID 164590266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).