6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H19F4N7O5 — CID 154642096

About 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 154642096) has the molecular formula C18H19F4N7O5 and a molecular weight of 489.39 g/mol. Its IUPAC name is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 154642096
• Molecular Formula: C18H19F4N7O5
• Molecular Weight: 489.39 g/mol
• Exact Mass: 489.14
• IUPAC Name: 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: CCN1C(=O)N(c2nc(OCC(F)(F)F)c(C(=O)Nc3ccnnc3OC)cc2F)NC1CO
• InChI: InChI=1S/C18H19F4N7O5/c1-3-28-12(7-30)27-29(17(28)32)13-10(19)6-9(15(25-13)34-8-18(20,21)22)14(31)24-11-4-5-23-26-16(11)33-2/h4-6,12,27,30H,3,7-8H2,1-2H3,(H,23,24,31)
• InChIKey: VEHRXWWKUYUZPP-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 142.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.39
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 154642096) is 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCN1C(=O)N(c2nc(OCC(F)(F)F)c(C(=O)Nc3ccnnc3OC)cc2F)NC1CO.

What is the InChIKey of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is VEHRXWWKUYUZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N7O5/c1-3-28-12(7-30)27-29(17(28)32)13-10(19)6-9(15(25-13)34-8-18(20,21)22)14(31)24-11-4-5-23-26-16(11)33-2/h4-6,12,27,30H,3,7-8H2,1-2H3,(H,23,24,31).

What are the key properties of 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 489.39 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazolidin-1-yl]-5-fluoro-N-(3-methoxypyridazin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 154642096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).