5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine

C79H64F10N26O2 — CID 157174612

About 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine

5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 157174612) has the molecular formula C79H64F10N26O2 and a molecular weight of 1599.54 g/mol. Its IUPAC name is 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 157174612
• Molecular Formula: C79H64F10N26O2
• Molecular Weight: 1599.54 g/mol
• Exact Mass: 1598.55
• IUPAC Name: 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
• SMILES: Cc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(N3CCOCC3)cc2)n1.FC(F)(F)c1ccc(Nc2nncc(-n3c(C4CC4)nc4ccccc43)n2)cc1.Fc1ccc2nc(C3CC3)n(-c3cnnc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1
• InChI: InChI=1S/C21H22N8O.C20H14F4N6.C20H15F3N6.C18H13F3N6O/c1-14-23-17-4-2-3-5-18(17)29(14)21-26-19(22)25-20(27-21)24-15-6-8-16(9-7-15)28-10-12-30-13-11-28;21-13-5-8-15-16(9-13)30(18(27-15)11-1-2-11)17-10-25-29-19(28-17)26-14-6-3-12(4-7-14)20(22,23)24;21-20(22,23)13-7-9-14(10-8-13)25-19-27-17(11-24-28-19)29-16-4-2-1-3-15(16)26-18(29)12-5-6-12;1-10-23-14-7-2-11(19)8-15(14)27(10)16-9-22-26-18(25-16)24-12-3-5-13(6-4-12)28-17(20)21/h2-9H,10-13H2,1H3,(H3,22,24,25,26,27);3-11H,1-2H2,(H,26,28,29);1-4,7-12H,5-6H2,(H,25,27,28);2-9,17H,1H3,(H,24,25,26)
• InChIKey: ANWAVBPBPAPJJU-UHFFFAOYSA-N
• XLogP: 16.52
• TPSA: 321.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1599.54
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine (CID 157174612) is 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine is Cc1nc2ccc(F)cc2n1-c1cnnc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(N3CCOCC3)cc2)n1.FC(F)(F)c1ccc(Nc2nncc(-n3c(C4CC4)nc4ccccc43)n2)cc1.Fc1ccc2nc(C3CC3)n(-c3cnnc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.

What is the InChIKey of 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is ANWAVBPBPAPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O.C20H14F4N6.C20H15F3N6.C18H13F3N6O/c1-14-23-17-4-2-3-5-18(17)29(14)21-26-19(22)25-20(27-21)24-15-6-8-16(9-7-15)28-10-12-30-13-11-28;21-13-5-8-15-16(9-13)30(18(27-15)11-1-2-11)17-10-25-29-19(28-17)26-14-6-3-12(4-7-14)20(22,23)24;21-20(22,23)13-7-9-14(10-8-13)25-19-27-17(11-24-28-19)29-16-4-2-1-3-15(16)26-18(29)12-5-6-12;1-10-23-14-7-2-11(19)8-15(14)27(10)16-9-22-26-18(25-16)24-12-3-5-13(6-4-12)28-17(20)21/h2-9H,10-13H2,1H3,(H3,22,24,25,26,27);3-11H,1-2H2,(H,26,28,29);1-4,7-12H,5-6H2,(H,25,27,28);2-9,17H,1H3,(H,24,25,26).

What are the key properties of 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine?

5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1599.54 g/mol, XLogP of 16.52, 17 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157174612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).