3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

C65H77BClN27O7 — CID 158876906

About 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole (PubChem CID 158876906) has the molecular formula C65H77BClN27O7 and a molecular weight of 1394.78 g/mol. Its IUPAC name is 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole.

Molecular Properties

• Compound Name: 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
• PubChem CID: 158876906
• Molecular Formula: C65H77BClN27O7
• Molecular Weight: 1394.78 g/mol
• Exact Mass: 1393.63
• IUPAC Name: 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
• SMILES: CN1CCC[C@@H]1CCC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N.CN1CCC[C@@H]1CN.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Cn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21.Cn1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc21
• InChI: InChI=1S/C22H25N9O.C15H12N8O2.C14H19BN2O2.C8H7ClN6O2.C6H14N2/c1-29-11-3-4-15(29)6-8-18(32)20-21(23)28-22(31-25-9-10-26-31)19(27-20)14-5-7-16-17(12-14)30(2)13-24-16;1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25;1-13(2)14(3,4)19-15(18-13)10-6-7-11-12(8-10)17(5)9-16-11;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;1-8-4-2-3-6(8)5-7/h5,7,9-10,12-13,15H,3-4,6,8,11H2,1-2H3,(H2,23,28);2-7H,1H3,(H2,16,21)(H,24,25);6-9H,1-5H3;2-3H,1H3,(H2,10,14);6H,2-5,7H2,1H3/t15-;;;;6-/m1...1/s1
• InChIKey: JCNYXMJCXPQFQC-PTHMGJDSSA-N
• XLogP: 5.13
• TPSA: 432.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1394.78
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The IUPAC name of 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole (CID 158876906) is 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole.

What is the SMILES notation for 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The canonical SMILES for 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole is CN1CCC[C@@H]1CCC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(-n2nccn2)nc1N.CN1CCC[C@@H]1CN.COC(=O)c1nc(Cl)c(-n2nccn2)nc1N.Cn1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-n3nccn3)cc21.Cn1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.

What is the InChIKey of 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The InChIKey is JCNYXMJCXPQFQC-PTHMGJDSSA-N. The full InChI is InChI=1S/C22H25N9O.C15H12N8O2.C14H19BN2O2.C8H7ClN6O2.C6H14N2/c1-29-11-3-4-15(29)6-8-18(32)20-21(23)28-22(31-25-9-10-26-31)19(27-20)14-5-7-16-17(12-14)30(2)13-24-16;1-22-7-17-9-3-2-8(6-10(9)22)11-14(23-18-4-5-19-23)21-13(16)12(20-11)15(24)25;1-13(2)14(3,4)19-15(18-13)10-6-7-11-12(8-10)17(5)9-16-11;1-17-8(16)4-6(10)14-7(5(9)13-4)15-11-2-3-12-15;1-8-4-2-3-6(8)5-7/h5,7,9-10,12-13,15H,3-4,6,8,11H2,1-2H3,(H2,23,28);2-7H,1H3,(H2,16,21)(H,24,25);6-9H,1-5H3;2-3H,1H3,(H2,10,14);6H,2-5,7H2,1H3/t15-;;;;6-/m1...1/s1.

What are the key properties of 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole has a molecular weight of 1394.78 g/mol, XLogP of 5.13, 13 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-(3-methylbenzimidazol-5-yl)-5-(triazol-2-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate;[(2R)-1-methylpyrrolidin-2-yl]methanamine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole is sourced from PubChem (CID 158876906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).