magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride

C89H106BBrCl2MgN30O8 — CID 158980653

About magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride

magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride (PubChem CID 158980653) has the molecular formula C89H106BBrCl2MgN30O8 and a molecular weight of 1909.96 g/mol. Its IUPAC name is magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride
• PubChem CID: 158980653
• Molecular Formula: C89H106BBrCl2MgN30O8
• Molecular Weight: 1909.96 g/mol
• Exact Mass: 1906.73
• IUPAC Name: magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride
• SMILES: C=CB1OC(C)(C)C(C)(C)O1.C=Cc1cncc(C#N)n1.CCN.CCN(CCc1cncc(C#N)n1)C(=O)c1ccccc1-n1nccn1.CCN(CCc1cncc(C(=O)OC)n1)C(=O)c1ccccc1-n1nccn1.CCN(CCc1cncc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1.CCNCCc1cncc(C#N)n1.Cl.N#Cc1cncc(Cl)n1.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C20H24N6O2.C19H20N6O3.C18H17N7O.C9H12N4.C8H15BO2.C7H5N3.C5H2ClN3.C2H7N.CH3.BrH.ClH.Mg/c1-4-25(12-9-15-13-21-14-18(24-15)20(2,3)28)19(27)16-7-5-6-8-17(16)26-22-10-11-23-26;1-3-24(11-8-14-12-20-13-16(23-14)19(27)28-2)18(26)15-6-4-5-7-17(15)25-21-9-10-22-25;1-2-24(10-7-14-12-20-13-15(11-19)23-14)18(26)16-5-3-4-6-17(16)25-21-8-9-22-25;1-2-11-4-3-8-6-12-7-9(5-10)13-8;1-6-9-10-7(2,3)8(4,5)11-9;1-2-6-4-9-5-7(3-8)10-6;6-5-3-8-2-4(1-7)9-5;1-2-3;;;;/h5-8,10-11,13-14,28H,4,9,12H2,1-3H3;4-7,9-10,12-13H,3,8,11H2,1-2H3;3-6,8-9,12-13H,2,7,10H2,1H3;6-7,11H,2-4H2,1H3;6H,1H2,2-5H3;2,4-5H,1H2;2-3H;2-3H2,1H3;1H3;2*1H;/q;;;;;;;;-1;;;+2/p-1
• InChIKey: BSXXIBBGCNMGBY-UHFFFAOYSA-M
• XLogP: 6.93
• TPSA: 505.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.96
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride?

The IUPAC name of magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride (CID 158980653) is magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride.

What is the SMILES notation for magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride?

The canonical SMILES for magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1cncc(C#N)n1.CCN.CCN(CCc1cncc(C#N)n1)C(=O)c1ccccc1-n1nccn1.CCN(CCc1cncc(C(=O)OC)n1)C(=O)c1ccccc1-n1nccn1.CCN(CCc1cncc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1.CCNCCc1cncc(C#N)n1.Cl.N#Cc1cncc(Cl)n1.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride?

The InChIKey is BSXXIBBGCNMGBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H24N6O2.C19H20N6O3.C18H17N7O.C9H12N4.C8H15BO2.C7H5N3.C5H2ClN3.C2H7N.CH3.BrH.ClH.Mg/c1-4-25(12-9-15-13-21-14-18(24-15)20(2,3)28)19(27)16-7-5-6-8-17(16)26-22-10-11-23-26;1-3-24(11-8-14-12-20-13-16(23-14)19(27)28-2)18(26)15-6-4-5-7-17(15)25-21-9-10-22-25;1-2-24(10-7-14-12-20-13-15(11-19)23-14)18(26)16-5-3-4-6-17(16)25-21-8-9-22-25;1-2-11-4-3-8-6-12-7-9(5-10)13-8;1-6-9-10-7(2,3)8(4,5)11-9;1-2-6-4-9-5-7(3-8)10-6;6-5-3-8-2-4(1-7)9-5;1-2-3;;;;/h5-8,10-11,13-14,28H,4,9,12H2,1-3H3;4-7,9-10,12-13H,3,8,11H2,1-2H3;3-6,8-9,12-13H,2,7,10H2,1H3;6-7,11H,2-4H2,1H3;6H,1H2,2-5H3;2,4-5H,1H2;2-3H;2-3H2,1H3;1H3;2*1H;/q;;;;;;;;-1;;;+2/p-1.

What are the key properties of magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride?

magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride has a molecular weight of 1909.96 g/mol, XLogP of 6.93, 26 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;6-chloropyrazine-2-carbonitrile;N-[2-(6-cyanopyrazin-2-yl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;ethanamine;6-ethenylpyrazine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-[2-(ethylamino)ethyl]pyrazine-2-carbonitrile;N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)pyrazin-2-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 6-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazine-2-carboxylate;bromide;hydrochloride is sourced from PubChem (CID 158980653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).