disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride

C100H113ClN24Na2O13 — CID 161417390

About disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride

disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride (PubChem CID 161417390) has the molecular formula C100H113ClN24Na2O13 and a molecular weight of 1940.59 g/mol. Its IUPAC name is disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride.

Molecular Properties

• Compound Name: disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride
• PubChem CID: 161417390
• Molecular Formula: C100H113ClN24Na2O13
• Molecular Weight: 1940.59 g/mol
• Exact Mass: 1938.84
• IUPAC Name: disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride
• SMILES: CC(C)C(N)=O.COC(=O)c1cc(-c2ccc(C)cn2)cc(-n2ncnc2C(C)C)c1.COC(=O)c1cc(N)cc(-c2ccc(C)cn2)c1.COC(=O)c1cc(NN)cc(-c2ccc(C)cn2)c1.Cc1ccc(-c2cc(C(=O)CCc3cnc(C)cn3)cc(-n3ncnc3C(C)C)c2)nc1.Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(C)C)c2)nc1.Cc1cnc(CN)cn1.Cl.O=N[O-].[Na+].[Na+].[OH-]
• InChI: InChI=1S/C25H26N6O.C19H20N4O2.C18H18N4O2.C14H15N3O2.C14H14N2O2.C6H9N3.C4H9NO.ClH.HNO2.2Na.H2O/c1-16(2)25-29-15-30-31(25)22-10-19(23-7-5-17(3)12-28-23)9-20(11-22)24(32)8-6-21-14-26-18(4)13-27-21;1-12(2)18-21-11-22-23(18)16-8-14(7-15(9-16)19(24)25-4)17-6-5-13(3)10-20-17;1-11(2)17-20-10-21-22(17)15-7-13(6-14(8-15)18(23)24)16-5-4-12(3)9-19-16;1-9-3-4-13(16-8-9)10-5-11(14(18)19-2)7-12(6-10)17-15;1-9-3-4-13(16-8-9)10-5-11(14(17)18-2)7-12(15)6-10;1-5-3-9-6(2-7)4-8-5;1-3(2)4(5)6;;2-1-3;;;/h5,7,9-16H,6,8H2,1-4H3;5-12H,1-4H3;4-11H,1-3H3,(H,23,24);3-8,17H,15H2,1-2H3;3-8H,15H2,1-2H3;3-4H,2,7H2,1H3;3H,1-2H3,(H2,5,6);1H;(H,2,3);;;1H2/q;;;;;;;;;2*+1;/p-2
• InChIKey: CUTCHJBCKOQENL-UHFFFAOYSA-L
• XLogP: 11.11
• TPSA: 557.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1940.59
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride?

The IUPAC name of disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride (CID 161417390) is disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride.

What is the SMILES notation for disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride?

The canonical SMILES for disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride is CC(C)C(N)=O.COC(=O)c1cc(-c2ccc(C)cn2)cc(-n2ncnc2C(C)C)c1.COC(=O)c1cc(N)cc(-c2ccc(C)cn2)c1.COC(=O)c1cc(NN)cc(-c2ccc(C)cn2)c1.Cc1ccc(-c2cc(C(=O)CCc3cnc(C)cn3)cc(-n3ncnc3C(C)C)c2)nc1.Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(C)C)c2)nc1.Cc1cnc(CN)cn1.Cl.O=N[O-].[Na+].[Na+].[OH-].

What is the InChIKey of disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride?

The InChIKey is CUTCHJBCKOQENL-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H26N6O.C19H20N4O2.C18H18N4O2.C14H15N3O2.C14H14N2O2.C6H9N3.C4H9NO.ClH.HNO2.2Na.H2O/c1-16(2)25-29-15-30-31(25)22-10-19(23-7-5-17(3)12-28-23)9-20(11-22)24(32)8-6-21-14-26-18(4)13-27-21;1-12(2)18-21-11-22-23(18)16-8-14(7-15(9-16)19(24)25-4)17-6-5-13(3)10-20-17;1-11(2)17-20-10-21-22(17)15-7-13(6-14(8-15)18(23)24)16-5-4-12(3)9-19-16;1-9-3-4-13(16-8-9)10-5-11(14(18)19-2)7-12(6-10)17-15;1-9-3-4-13(16-8-9)10-5-11(14(17)18-2)7-12(15)6-10;1-5-3-9-6(2-7)4-8-5;1-3(2)4(5)6;;2-1-3;;;/h5,7,9-16H,6,8H2,1-4H3;5-12H,1-4H3;4-11H,1-3H3,(H,23,24);3-8,17H,15H2,1-2H3;3-8H,15H2,1-2H3;3-4H,2,7H2,1H3;3H,1-2H3,(H2,5,6);1H;(H,2,3);;;1H2/q;;;;;;;;;2*+1;/p-2.

What are the key properties of disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride?

disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride has a molecular weight of 1940.59 g/mol, XLogP of 11.11, 22 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;nitrite;hydrochloride is sourced from PubChem (CID 161417390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).