N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid

C68H90ClF3N18O16S3 — CID 164969257

About N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid

N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid (PubChem CID 164969257) has the molecular formula C68H90ClF3N18O16S3 and a molecular weight of 1604.23 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid
• PubChem CID: 164969257
• Molecular Formula: C68H90ClF3N18O16S3
• Molecular Weight: 1604.23 g/mol
• Exact Mass: 1602.56
• IUPAC Name: N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)N1CC(N)C1.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(C)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CNC4)ccc3OCC)nn12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H28N6O4S.C20H26N6O4S.C17H19ClN4O4S.C8H16N2O2.C2HF3O2/c1-5-7-18-22-13(3)19-21(28)23-20(24-27(18)19)16-10-15(8-9-17(16)31-6-2)32(29,30)25-14-11-26(4)12-14;1-4-6-17-22-12(3)18-20(27)23-19(24-26(17)18)15-9-14(7-8-16(15)30-5-2)31(28,29)25-13-10-21-11-13;1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2;1-8(2,3)12-7(11)10-4-6(9)5-10;3-2(4,5)1(6)7/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,23,24,28);7-9,13,21,25H,4-6,10-11H2,1-3H3,(H,23,24,27);7-9H,4-6H2,1-3H3,(H,20,21,23);6H,4-5,9H2,1-3H3;(H,6,7)
• InChIKey: VMWFOXSSKNKYJJ-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 451.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1604.23
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid (CID 164969257) is N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N1CC(N)C1.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(C)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CNC4)ccc3OCC)nn12.O=C(O)C(F)(F)F.

What is the InChIKey of N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid?

The InChIKey is VMWFOXSSKNKYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O4S.C20H26N6O4S.C17H19ClN4O4S.C8H16N2O2.C2HF3O2/c1-5-7-18-22-13(3)19-21(28)23-20(24-27(18)19)16-10-15(8-9-17(16)31-6-2)32(29,30)25-14-11-26(4)12-14;1-4-6-17-22-12(3)18-20(27)23-19(24-26(17)18)15-9-14(7-8-16(15)30-5-2)31(28,29)25-13-10-21-11-13;1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2;1-8(2,3)12-7(11)10-4-6(9)5-10;3-2(4,5)1(6)7/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,23,24,28);7-9,13,21,25H,4-6,10-11H2,1-3H3,(H,23,24,27);7-9H,4-6H2,1-3H3,(H,20,21,23);6H,4-5,9H2,1-3H3;(H,6,7).

What are the key properties of N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid?

N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid has a molecular weight of 1604.23 g/mol, XLogP of 6.20, 22 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-3-yl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;tert-butyl 3-aminoazetidine-1-carboxylate;4-ethoxy-N-(1-methylazetidin-3-yl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 164969257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).