4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate

C115H159N31O27S5 — CID 165012477

About 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate

4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate (PubChem CID 165012477) has the molecular formula C115H159N31O27S5 and a molecular weight of 2568.06 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate.

Molecular Properties

• Compound Name: 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate
• PubChem CID: 165012477
• Molecular Formula: C115H159N31O27S5
• Molecular Weight: 2568.06 g/mol
• Exact Mass: 2566.06
• IUPAC Name: 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate
• SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCCOC)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCO[N+](=O)[O-])C4)ccc3OCC)nn12
• InChI: InChI=1S/2C24H34N6O5S.C23H32N6O5S.C22H29N7O7S.C22H30N6O5S/c1-5-8-21-25-16(3)22-24(31)26-23(27-30(21)22)19-13-18(9-10-20(19)35-6-2)36(32,33)28-17-14-29(15-17)11-7-12-34-4;1-4-8-21-25-16(3)22-24(32)26-23(27-30(21)22)19-13-18(9-10-20(19)35-5-2)36(33,34)28-17-14-29(15-17)11-6-7-12-31;1-4-7-20-24-15(3)21-23(31)25-22(26-29(20)21)18-12-17(8-9-19(18)34-5-2)35(32,33)27-16-13-28(14-16)10-6-11-30;1-4-6-19-23-14(3)20-22(30)24-21(25-28(19)20)17-11-16(7-8-18(17)35-5-2)37(33,34)26-15-12-27(13-15)9-10-36-29(31)32;1-4-6-19-23-14(3)20-22(30)24-21(25-28(19)20)17-11-16(7-8-18(17)33-5-2)34(31,32)26-15-12-27(13-15)9-10-29/h9-10,13,17,28H,5-8,11-12,14-15H2,1-4H3,(H,26,27,31);9-10,13,17,28,31H,4-8,11-12,14-15H2,1-3H3,(H,26,27,32);8-9,12,16,27,30H,4-7,10-11,13-14H2,1-3H3,(H,25,26,31);7-8,11,15,26H,4-6,9-10,12-13H2,1-3H3,(H,24,25,30);7-8,11,15,26,29H,4-6,9-10,12-13H2,1-3H3,(H,24,25,30)
• InChIKey: JXKHVSVGWVCFEZ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 730.74 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 47
• Rotatable Bonds: 57
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.06
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate?

The IUPAC name of 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate (CID 165012477) is 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate.

What is the SMILES notation for 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate?

The canonical SMILES for 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCCOC)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CN(CCO[N+](=O)[O-])C4)ccc3OCC)nn12.

What is the InChIKey of 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate?

The InChIKey is JXKHVSVGWVCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H34N6O5S.C23H32N6O5S.C22H29N7O7S.C22H30N6O5S/c1-5-8-21-25-16(3)22-24(31)26-23(27-30(21)22)19-13-18(9-10-20(19)35-6-2)36(32,33)28-17-14-29(15-17)11-7-12-34-4;1-4-8-21-25-16(3)22-24(32)26-23(27-30(21)22)19-13-18(9-10-20(19)35-5-2)36(33,34)28-17-14-29(15-17)11-6-7-12-31;1-4-7-20-24-15(3)21-23(31)25-22(26-29(20)21)18-12-17(8-9-19(18)34-5-2)35(32,33)27-16-13-28(14-16)10-6-11-30;1-4-6-19-23-14(3)20-22(30)24-21(25-28(19)20)17-11-16(7-8-18(17)35-5-2)37(33,34)26-15-12-27(13-15)9-10-36-29(31)32;1-4-6-19-23-14(3)20-22(30)24-21(25-28(19)20)17-11-16(7-8-18(17)33-5-2)34(31,32)26-15-12-27(13-15)9-10-29/h9-10,13,17,28H,5-8,11-12,14-15H2,1-4H3,(H,26,27,31);9-10,13,17,28,31H,4-8,11-12,14-15H2,1-3H3,(H,26,27,32);8-9,12,16,27,30H,4-7,10-11,13-14H2,1-3H3,(H,25,26,31);7-8,11,15,26H,4-6,9-10,12-13H2,1-3H3,(H,24,25,30);7-8,11,15,26,29H,4-6,9-10,12-13H2,1-3H3,(H,24,25,30).

What are the key properties of 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate?

4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate has a molecular weight of 2568.06 g/mol, XLogP of 5.93, 57 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-[1-(4-hydroxybutyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(2-hydroxyethyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-hydroxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;4-ethoxy-N-[1-(3-methoxypropyl)azetidin-3-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide;2-[3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]azetidin-1-yl]ethyl nitrate is sourced from PubChem (CID 165012477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).