4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine

C57H86F5N29 — CID 167617146

About 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine

4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine (PubChem CID 167617146) has the molecular formula C57H86F5N29 and a molecular weight of 1272.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine
• PubChem CID: 167617146
• Molecular Formula: C57H86F5N29
• Molecular Weight: 1272.51 g/mol
• Exact Mass: 1271.75
• IUPAC Name: 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine
• SMILES: CCc1cc(Nc2nncn2C(C)(C)C)n(C)n1.Cc1cc(Nc2nncn2C(C)(C)C)n(C)n1.Cc1ncccc1Nc1nncn1C(C)(C)C.Cn1nc(C(F)(F)F)cc1Nc1nncn1C(C)(C)C.Cn1nc(C(F)F)cc1Nc1nncn1C(C)(C)C
• InChI: InChI=1S/C12H20N6.C12H17N5.C11H15F3N6.C11H16F2N6.C11H18N6/c1-6-9-7-10(17(5)16-9)14-11-15-13-8-18(11)12(2,3)4;1-9-10(6-5-7-13-9)15-11-16-14-8-17(11)12(2,3)4;1-10(2,3)20-6-15-17-9(20)16-8-5-7(11(12,13)14)18-19(8)4;1-11(2,3)19-6-14-16-10(19)15-8-5-7(9(12)13)17-18(8)4;1-8-6-9(16(5)15-8)13-10-14-12-7-17(10)11(2,3)4/h7-8H,6H2,1-5H3,(H,14,15);5-8H,1-4H3,(H,15,16);5-6H,1-4H3,(H,16,17);5-6,9H,1-4H3,(H,15,16);6-7H,1-5H3,(H,13,14)
• InChIKey: LXDHKYSBPKEIJH-UHFFFAOYSA-N
• XLogP: 11.35
• TPSA: 297.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.51
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine?

The IUPAC name of 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine (CID 167617146) is 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine.

What is the SMILES notation for 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine?

The canonical SMILES for 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine is CCc1cc(Nc2nncn2C(C)(C)C)n(C)n1.Cc1cc(Nc2nncn2C(C)(C)C)n(C)n1.Cc1ncccc1Nc1nncn1C(C)(C)C.Cn1nc(C(F)(F)F)cc1Nc1nncn1C(C)(C)C.Cn1nc(C(F)F)cc1Nc1nncn1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine?

The InChIKey is LXDHKYSBPKEIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6.C12H17N5.C11H15F3N6.C11H16F2N6.C11H18N6/c1-6-9-7-10(17(5)16-9)14-11-15-13-8-18(11)12(2,3)4;1-9-10(6-5-7-13-9)15-11-16-14-8-17(11)12(2,3)4;1-10(2,3)20-6-15-17-9(20)16-8-5-7(11(12,13)14)18-19(8)4;1-11(2,3)19-6-14-16-10(19)15-8-5-7(9(12)13)17-18(8)4;1-8-6-9(16(5)15-8)13-10-14-12-7-17(10)11(2,3)4/h7-8H,6H2,1-5H3,(H,14,15);5-8H,1-4H3,(H,15,16);5-6H,1-4H3,(H,16,17);5-6,9H,1-4H3,(H,15,16);6-7H,1-5H3,(H,13,14).

What are the key properties of 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine?

4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine has a molecular weight of 1272.51 g/mol, XLogP of 11.35, 12 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-(difluoromethyl)-1-methylpyrazol-5-yl]-1,2,4-triazol-3-amine;4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine;4-tert-butyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-amine;N-(4-tert-butyl-1,2,4-triazol-3-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 167617146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).