lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide

C62H47LiN24O7 — CID 158466662

About lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide

lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide (PubChem CID 158466662) has the molecular formula C62H47LiN24O7 and a molecular weight of 1247.16 g/mol. Its IUPAC name is lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide
• PubChem CID: 158466662
• Molecular Formula: C62H47LiN24O7
• Molecular Weight: 1247.16 g/mol
• Exact Mass: 1246.42
• IUPAC Name: lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide
• SMILES: C#Cc1cc(-c2cccc(C#N)c2)nc(N)n1.COC(=O)c1ccnc(CN=[N+]=[N-])c1.COC(=O)c1ccnc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)c1.N#Cc1cccc(-c2cc(-c3cn(Cc4cc(C(=O)O)ccn4)nn3)nc(N)n2)c1.[Li+].[OH-]
• InChI: InChI=1S/C21H16N8O2.C20H14N8O2.C13H8N4.C8H8N4O2.Li.H2O/c1-31-20(30)15-5-6-24-16(8-15)11-29-12-19(27-28-29)18-9-17(25-21(23)26-18)14-4-2-3-13(7-14)10-22;21-9-12-2-1-3-13(6-12)16-8-17(25-20(22)24-16)18-11-28(27-26-18)10-15-7-14(19(29)30)4-5-23-15;1-2-11-7-12(17-13(15)16-11)10-5-3-4-9(6-10)8-14;1-14-8(13)6-2-3-10-7(4-6)5-11-12-9;;/h2-9,12H,11H2,1H3,(H2,23,25,26);1-8,11H,10H2,(H,29,30)(H2,22,24,25);1,3-7H,(H2,15,16,17);2-4H,5H2,1H3;;1H2/q;;;;+1;/p-1
• InChIKey: HFVJNMXIJMDGDN-UHFFFAOYSA-M
• XLogP: 4.17
• TPSA: 495.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1247.16
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide?

The IUPAC name of lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide (CID 158466662) is lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide.

What is the SMILES notation for lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide?

The canonical SMILES for lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide is C#Cc1cc(-c2cccc(C#N)c2)nc(N)n1.COC(=O)c1ccnc(CN=[N+]=[N-])c1.COC(=O)c1ccnc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)c1.N#Cc1cccc(-c2cc(-c3cn(Cc4cc(C(=O)O)ccn4)nn3)nc(N)n2)c1.[Li+].[OH-].

What is the InChIKey of lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide?

The InChIKey is HFVJNMXIJMDGDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16N8O2.C20H14N8O2.C13H8N4.C8H8N4O2.Li.H2O/c1-31-20(30)15-5-6-24-16(8-15)11-29-12-19(27-28-29)18-9-17(25-21(23)26-18)14-4-2-3-13(7-14)10-22;21-9-12-2-1-3-13(6-12)16-8-17(25-20(22)24-16)18-11-28(27-26-18)10-15-7-14(19(29)30)4-5-23-15;1-2-11-7-12(17-13(15)16-11)10-5-3-4-9(6-10)8-14;1-14-8(13)6-2-3-10-7(4-6)5-11-12-9;;/h2-9,12H,11H2,1H3,(H2,23,25,26);1-8,11H,10H2,(H,29,30)(H2,22,24,25);1,3-7H,(H2,15,16,17);2-4H,5H2,1H3;;1H2/q;;;;+1;/p-1.

What are the key properties of lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide?

lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide has a molecular weight of 1247.16 g/mol, XLogP of 4.17, 14 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylic acid;3-(2-amino-6-ethynylpyrimidin-4-yl)benzonitrile;methyl 2-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-4-carboxylate;methyl 2-(azidomethyl)pyridine-4-carboxylate;hydroxide is sourced from PubChem (CID 158466662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).