sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride

C77H70ClF12N22NaO9 — CID 160723268

About sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride

sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride (PubChem CID 160723268) has the molecular formula C77H70ClF12N22NaO9 and a molecular weight of 1733.97 g/mol. Its IUPAC name is sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride
• PubChem CID: 160723268
• Molecular Formula: C77H70ClF12N22NaO9
• Molecular Weight: 1733.97 g/mol
• Exact Mass: 1732.51
• IUPAC Name: sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride
• SMILES: COC(=O)c1cc(-c2ccc(C)cn2)cc(-n2ncnc2C(F)(F)F)c1.COC(=O)c1cc(NN)cc(-c2ccc(C)cn2)c1.Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(-n3ncnc3C(F)(F)F)c2)nc1.Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(F)(F)F)c2)nc1.Cc1cnc(CN)cn1.Cl.NC(=O)C(F)(F)F.[Na+].[OH-]
• InChI: InChI=1S/C22H18F3N7O.C17H13F3N4O2.C16H11F3N4O2.C14H15N3O2.C6H9N3.C2H2F3NO.ClH.Na.H2O/c1-13-3-4-19(28-8-13)15-5-16(20(33)29-11-17-10-26-14(2)9-27-17)7-18(6-15)32-21(22(23,24)25)30-12-31-32;1-10-3-4-14(21-8-10)11-5-12(15(25)26-2)7-13(6-11)24-16(17(18,19)20)22-9-23-24;1-9-2-3-13(20-7-9)10-4-11(14(24)25)6-12(5-10)23-15(16(17,18)19)21-8-22-23;1-9-3-4-13(16-8-9)10-5-11(14(18)19-2)7-12(6-10)17-15;1-5-3-9-6(2-7)4-8-5;3-2(4,5)1(6)7;;;/h3-10,12H,11H2,1-2H3,(H,29,33);3-9H,1-2H3;2-8H,1H3,(H,24,25);3-8,17H,15H2,1-2H3;3-4H,2,7H2,1H3;(H2,6,7);1H;;1H2/q;;;;;;;+1;/p-1
• InChIKey: UXEPVRVFZMMQBZ-UHFFFAOYSA-M
• XLogP: 10.14
• TPSA: 451.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1733.97
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride?

The IUPAC name of sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride (CID 160723268) is sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride.

What is the SMILES notation for sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride?

The canonical SMILES for sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride is COC(=O)c1cc(-c2ccc(C)cn2)cc(-n2ncnc2C(F)(F)F)c1.COC(=O)c1cc(NN)cc(-c2ccc(C)cn2)c1.Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(-n3ncnc3C(F)(F)F)c2)nc1.Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(F)(F)F)c2)nc1.Cc1cnc(CN)cn1.Cl.NC(=O)C(F)(F)F.[Na+].[OH-].

What is the InChIKey of sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride?

The InChIKey is UXEPVRVFZMMQBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18F3N7O.C17H13F3N4O2.C16H11F3N4O2.C14H15N3O2.C6H9N3.C2H2F3NO.ClH.Na.H2O/c1-13-3-4-19(28-8-13)15-5-16(20(33)29-11-17-10-26-14(2)9-27-17)7-18(6-15)32-21(22(23,24)25)30-12-31-32;1-10-3-4-14(21-8-10)11-5-12(15(25)26-2)7-13(6-11)24-16(17(18,19)20)22-9-23-24;1-9-2-3-13(20-7-9)10-4-11(14(24)25)6-12(5-10)23-15(16(17,18)19)21-8-22-23;1-9-3-4-13(16-8-9)10-5-11(14(18)19-2)7-12(6-10)17-15;1-5-3-9-6(2-7)4-8-5;3-2(4,5)1(6)7;;;/h3-10,12H,11H2,1-2H3,(H,29,33);3-9H,1-2H3;2-8H,1H3,(H,24,25);3-8,17H,15H2,1-2H3;3-4H,2,7H2,1H3;(H2,6,7);1H;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride?

sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride has a molecular weight of 1733.97 g/mol, XLogP of 10.14, 15 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride is sourced from PubChem (CID 160723268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).