dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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

C51H71ClF3K2N13O15S2 — CID 164997107

About dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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

dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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 (PubChem CID 164997107) has the molecular formula C51H71ClF3K2N13O15S2 and a molecular weight of 1340.98 g/mol. Its IUPAC name is dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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.

Molecular Properties

• Compound Name: dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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
• PubChem CID: 164997107
• Molecular Formula: C51H71ClF3K2N13O15S2
• Molecular Weight: 1340.98 g/mol
• Exact Mass: 1339.35
• IUPAC Name: dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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
• SMILES: CC#N.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCCO)C4)ccc3OCC)nn12.O=C(O)C(F)(F)F.O=CO[O-].OCCCNC1CNC1.[H-].[K+].[K+]
• InChI: InChI=1S/C23H32N6O5S.C17H19ClN4O4S.C6H14N2O.C2HF3O2.C2H3N.CH2O3.2K.H/c1-4-7-20-25-15(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;1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2;9-3-1-2-8-6-4-7-5-6;3-2(4,5)1(6)7;1-2-3;2-1-4-3;;;/h8-9,12,16,24,30H,4-7,10-11,13-14H2,1-3H3,(H,26,27,31);7-9H,4-6H2,1-3H3,(H,20,21,23);6-9H,1-5H2;(H,6,7);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: CSNDBKMBANTSIM-UHFFFAOYSA-M
• XLogP: -3.59
• TPSA: 403.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1340.98
LogP ≤ 5	-3.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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?

The IUPAC name of dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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 164997107) is dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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.

What is the SMILES notation for dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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?

The canonical SMILES for dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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 is CC#N.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC(NCCCO)C4)ccc3OCC)nn12.O=C(O)C(F)(F)F.O=CO[O-].OCCCNC1CNC1.[H-].[K+].[K+].

What is the InChIKey of dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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?

The InChIKey is CSNDBKMBANTSIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H32N6O5S.C17H19ClN4O4S.C6H14N2O.C2HF3O2.C2H3N.CH2O3.2K.H/c1-4-7-20-25-15(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;1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2;9-3-1-2-8-6-4-7-5-6;3-2(4,5)1(6)7;1-2-3;2-1-4-3;;;/h8-9,12,16,24,30H,4-7,10-11,13-14H2,1-3H3,(H,26,27,31);7-9H,4-6H2,1-3H3,(H,20,21,23);6-9H,1-5H2;(H,6,7);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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?

dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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 has a molecular weight of 1340.98 g/mol, XLogP of -3.59, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;acetonitrile;3-(azetidin-3-ylamino)propan-1-ol;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;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 is sourced from PubChem (CID 164997107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).