2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C116H162N30O25S5 — CID 164976830

IUPAC2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(N(C)CCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(N(C)CCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCO)C4)ccc3OCC)nn12
InChIInChI=1S/2C24H34N6O5S.2C23H32N6O5S.C22H30N6O5S/c1-5-8-21-25-16(3)22-24(32)26-23(27-30(21)22)19-13-18(9-10-20(19)35-6-2)36(33,34)29-14-17(15-29)28(4)11-7-12-31;1-4-8-21-26-16(3)22-24(32)27-23(28-30(21)22)19-13-18(9-10-20(19)35-5-2)36(33,34)29-14-17(15-29)25-11-6-7-12-31;1-5-7-20-24-15(3)21-23(31)25-22(26-29(20)21)18-12-17(8-9-19(18)34-6-2)35(32,33)28-13-16(14-28)27(4)10-11-30;1-4-7-20-25-15(3)21-23(31)26-22(27-29(20)21)18-12-17(8-9-19(18)34-5-2)35(32,33)28-13-16(14-28)24-10-6-11-30;1-4-6-19-24-14(3)20-22(30)25-21(26-28(19)20)17-11-16(7-8-18(17)33-5-2)34(31,32)27-12-15(13-27)23-9-10-29/h9-10,13,17,31H,5-8,11-12,14-15H2,1-4H3,(H,26,27,32);9-10,13,17,25,31H,4-8,11-12,14-15H2,1-3H3,(H,27,28,32);8-9,12,16,30H,5-7,10-11,13-14H2,1-4H3,(H,25,26,31);8-9,12,16,24,30H,4-7,10-11,13-14H2,1-3H3,(H,26,27,31);7-8,11,15,23,29H,4-6,9-10,12-13H2,1-3H3,(H,25,26,30)
InChIKeyDXGWGTJLLPXRHV-UHFFFAOYSA-N
MW2537.09 g/mol
LogP5.74
Rot. Bonds54

About 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 164976830) has the molecular formula C116H162N30O25S5 and a molecular weight of 2537.09 g/mol. Its IUPAC name is 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID164976830
Molecular FormulaC116H162N30O25S5
Molecular Weight2537.09 g/mol
Exact Mass2535.09
IUPAC Name2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(N(C)CCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(N(C)CCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCO)C4)ccc3OCC)nn12
InChIInChI=1S/2C24H34N6O5S.2C23H32N6O5S.C22H30N6O5S/c1-5-8-21-25-16(3)22-24(32)26-23(27-30(21)22)19-13-18(9-10-20(19)35-6-2)36(33,34)29-14-17(15-29)28(4)11-7-12-31;1-4-8-21-26-16(3)22-24(32)27-23(28-30(21)22)19-13-18(9-10-20(19)35-5-2)36(33,34)29-14-17(15-29)25-11-6-7-12-31;1-5-7-20-24-15(3)21-23(31)25-22(26-29(20)21)18-12-17(8-9-19(18)34-6-2)35(32,33)28-13-16(14-28)27(4)10-11-30;1-4-7-20-25-15(3)21-23(31)26-22(27-29(20)21)18-12-17(8-9-19(18)34-5-2)35(32,33)28-13-16(14-28)24-10-6-11-30;1-4-6-19-24-14(3)20-22(30)25-21(26-28(19)20)17-11-16(7-8-18(17)33-5-2)34(31,32)27-12-15(13-27)23-9-10-29/h9-10,13,17,31H,5-8,11-12,14-15H2,1-4H3,(H,26,27,32);9-10,13,17,25,31H,4-8,11-12,14-15H2,1-3H3,(H,27,28,32);8-9,12,16,30H,5-7,10-11,13-14H2,1-4H3,(H,25,26,31);8-9,12,16,24,30H,4-7,10-11,13-14H2,1-3H3,(H,26,27,31);7-8,11,15,23,29H,4-6,9-10,12-13H2,1-3H3,(H,25,26,30)
InChIKeyDXGWGTJLLPXRHV-UHFFFAOYSA-N
XLogP5.74
TPSA692.02 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds54
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002537.09
LogP ≤ 55.74
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

2-[2-ethoxy-5-[(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135981254
dipotassium;acetonitrile;2-[azetidin-3-yl(methyl)amino]ethanol;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride;hydride;oxido formate;2,2,2-trifluoroacetic acid
CID 165018422
4-ethoxy-N-methyl-N-[2-(methylamino)ethyl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135906899
4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-propylbenzenesulfonamide
CID 135906898
N-[3-(dimethylamino)propyl]-4-ethoxy-3-(5-ethyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 135708051
N-[2-(diethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708033
2-[5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-propoxyphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135856742
2-[2-ethoxy-5-(4-methoxyiminopiperidin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135707862
4-ethoxy-N-[4-[[ethyl(2-hydroxyethyl)amino]methyl]phenyl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707987
4-ethoxy-N-[2-(N-methylanilino)ethyl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707899
4-ethoxy-N-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707983
(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 135428687

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 164976830) is 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(N(C)CCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(N(C)CCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCCO)C4)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCO)C4)ccc3OCC)nn12.
What is the InChIKey of 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is DXGWGTJLLPXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H34N6O5S.2C23H32N6O5S.C22H30N6O5S/c1-5-8-21-25-16(3)22-24(32)26-23(27-30(21)22)19-13-18(9-10-20(19)35-6-2)36(33,34)29-14-17(15-29)28(4)11-7-12-31;1-4-8-21-26-16(3)22-24(32)27-23(28-30(21)22)19-13-18(9-10-20(19)35-5-2)36(33,34)29-14-17(15-29)25-11-6-7-12-31;1-5-7-20-24-15(3)21-23(31)25-22(26-29(20)21)18-12-17(8-9-19(18)34-6-2)35(32,33)28-13-16(14-28)27(4)10-11-30;1-4-7-20-25-15(3)21-23(31)26-22(27-29(20)21)18-12-17(8-9-19(18)34-5-2)35(32,33)28-13-16(14-28)24-10-6-11-30;1-4-6-19-24-14(3)20-22(30)25-21(26-28(19)20)17-11-16(7-8-18(17)33-5-2)34(31,32)27-12-15(13-27)23-9-10-29/h9-10,13,17,31H,5-8,11-12,14-15H2,1-4H3,(H,26,27,32);9-10,13,17,25,31H,4-8,11-12,14-15H2,1-3H3,(H,27,28,32);8-9,12,16,30H,5-7,10-11,13-14H2,1-4H3,(H,25,26,31);8-9,12,16,24,30H,4-7,10-11,13-14H2,1-3H3,(H,26,27,31);7-8,11,15,23,29H,4-6,9-10,12-13H2,1-3H3,(H,25,26,30).
What are the key properties of 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 2537.09 g/mol, XLogP of 5.74, 54 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-5-[3-(4-hydroxybutylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(2-hydroxyethylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[2-hydroxyethyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-(3-hydroxypropylamino)azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[2-ethoxy-5-[3-[3-hydroxypropyl(methyl)amino]azetidin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 164976830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).