magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride

C70H97ClF5MgN11O18P2 — CID 161275609

About magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride

magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride (PubChem CID 161275609) has the molecular formula C70H97ClF5MgN11O18P2 and a molecular weight of 1597.30 g/mol. Its IUPAC name is magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride.

Molecular Properties

• Compound Name: magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride
• PubChem CID: 161275609
• Molecular Formula: C70H97ClF5MgN11O18P2
• Molecular Weight: 1597.30 g/mol
• Exact Mass: 1595.59
• IUPAC Name: magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride
• SMILES: C.C.C.C1CCOC1.C[C-](C)C.C[C@H](C[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCC(C)(C)C.C[C@H](N[P@](=O)(Oc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)OCC(C)(C)C.N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O.[Cl-].[Mg+2]
• InChI: InChI=1S/C27H34N5O8P.C20H21F5NO5P.C12H13N5O4.C4H8O.C4H9.3CH4.ClH.Mg/c1-17(25(35)37-15-26(2,3)4)13-41(36,40-18-8-6-5-7-9-18)38-12-20-22(33)23(34)27(14-28,39-20)21-11-10-19-24(29)30-16-31-32(19)21;1-11(19(27)29-10-20(2,3)4)26-32(28,30-12-8-6-5-7-9-12)31-18-16(24)14(22)13(21)15(23)17(18)25;13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8;1-2-4-5-3-1;1-4(2)3;;;;;/h5-11,16-17,20,22-23,33-34H,12-13,15H2,1-4H3,(H2,29,30,31);5-9,11H,10H2,1-4H3,(H,26,28);1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16);1-4H2;1-3H3;3*1H4;1H;/q;;;;-1;;;;;+2/p-1/t17-,20-,22-,23-,27+,41+;11-,32-;7-,9-,10-,12+;;;;;;;/m101......./s1
• InChIKey: SNHKKLPCQHBWLY-LEFNRCEDSA-M
• XLogP: 7.27
• TPSA: 424.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1597.30
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride?

The IUPAC name of magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride (CID 161275609) is magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride.

What is the SMILES notation for magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride?

The canonical SMILES for magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride is C.C.C.C1CCOC1.C[C-](C)C.C[C@H](C[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCC(C)(C)C.C[C@H](N[P@](=O)(Oc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)OCC(C)(C)C.N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O.[Cl-].[Mg+2].

What is the InChIKey of magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride?

The InChIKey is SNHKKLPCQHBWLY-LEFNRCEDSA-M. The full InChI is InChI=1S/C27H34N5O8P.C20H21F5NO5P.C12H13N5O4.C4H8O.C4H9.3CH4.ClH.Mg/c1-17(25(35)37-15-26(2,3)4)13-41(36,40-18-8-6-5-7-9-18)38-12-20-22(33)23(34)27(14-28,39-20)21-11-10-19-24(29)30-16-31-32(19)21;1-11(19(27)29-10-20(2,3)4)26-32(28,30-12-8-6-5-7-9-12)31-18-16(24)14(22)13(21)15(23)17(18)25;13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8;1-2-4-5-3-1;1-4(2)3;;;;;/h5-11,16-17,20,22-23,33-34H,12-13,15H2,1-4H3,(H2,29,30,31);5-9,11H,10H2,1-4H3,(H,26,28);1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16);1-4H2;1-3H3;3*1H4;1H;/q;;;;-1;;;;;+2/p-1/t17-,20-,22-,23-,27+,41+;11-,32-;7-,9-,10-,12+;;;;;;;/m101......./s1.

What are the key properties of magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride?

magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride has a molecular weight of 1597.30 g/mol, XLogP of 7.27, 20 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;2,2-dimethylpropyl (2S)-3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;2,2-dimethylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate;methane;2-methylpropane;oxolane;chloride is sourced from PubChem (CID 161275609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).