5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine

C96H74ClF3N28 — CID 157279151

About 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine

5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine (PubChem CID 157279151) has the molecular formula C96H74ClF3N28 and a molecular weight of 1712.29 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine
• PubChem CID: 157279151
• Molecular Formula: C96H74ClF3N28
• Molecular Weight: 1712.29 g/mol
• Exact Mass: 1710.63
• IUPAC Name: 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine
• SMILES: CCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.Cc1cc(-c2nc(N)nnc2-c2ccc3nccc(C)c3c2)ccn1.Cc1ncnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.Cc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(Cl)cc3)cc12.Nc1nnc(-c2ccc3nccc(C4CC4)c3c2)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C21H16FN5.C20H16FN5.C19H16N6.C18H13ClN6.C18H13FN6/c22-15-6-3-13(4-7-15)19-20(26-27-21(23)25-19)14-5-8-18-17(11-14)16(9-10-24-18)12-1-2-12;1-2-12-8-9-23-19-15(12)10-14(11-16(19)21)18-17(24-20(22)26-25-18)13-6-4-3-5-7-13;1-11-5-7-22-16-4-3-13(10-15(11)16)18-17(23-19(20)25-24-18)14-6-8-21-12(2)9-14;1-10-14-8-12(4-7-15(14)22-9-21-10)17-16(23-18(20)25-24-17)11-2-5-13(19)6-3-11;1-10-13-7-12(8-14(19)17(13)22-9-21-10)16-15(23-18(20)25-24-16)11-5-3-2-4-6-11/h3-12H,1-2H2,(H2,23,25,27);3-11H,2H2,1H3,(H2,22,24,26);3-10H,1-2H3,(H2,20,23,25);2*2-9H,1H3,(H2,20,23,25)
• InChIKey: AZLMHXBHHCORMN-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 426.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.29
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine?

The IUPAC name of 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine (CID 157279151) is 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine.

What is the SMILES notation for 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine?

The canonical SMILES for 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine is CCc1ccnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.Cc1cc(-c2nc(N)nnc2-c2ccc3nccc(C)c3c2)ccn1.Cc1ncnc2c(F)cc(-c3nnc(N)nc3-c3ccccc3)cc12.Cc1ncnc2ccc(-c3nnc(N)nc3-c3ccc(Cl)cc3)cc12.Nc1nnc(-c2ccc3nccc(C4CC4)c3c2)c(-c2ccc(F)cc2)n1.

What is the InChIKey of 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine?

The InChIKey is AZLMHXBHHCORMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5.C20H16FN5.C19H16N6.C18H13ClN6.C18H13FN6/c22-15-6-3-13(4-7-15)19-20(26-27-21(23)25-19)14-5-8-18-17(11-14)16(9-10-24-18)12-1-2-12;1-2-12-8-9-23-19-15(12)10-14(11-16(19)21)18-17(24-20(22)26-25-18)13-6-4-3-5-7-13;1-11-5-7-22-16-4-3-13(10-15(11)16)18-17(23-19(20)25-24-18)14-6-8-21-12(2)9-14;1-10-14-8-12(4-7-15(14)22-9-21-10)17-16(23-18(20)25-24-17)11-2-5-13(19)6-3-11;1-10-13-7-12(8-14(19)17(13)22-9-21-10)16-15(23-18(20)25-24-16)11-5-3-2-4-6-11/h3-12H,1-2H2,(H2,23,25,27);3-11H,2H2,1H3,(H2,22,24,26);3-10H,1-2H3,(H2,20,23,25);2*2-9H,1H3,(H2,20,23,25).

What are the key properties of 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine?

5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine has a molecular weight of 1712.29 g/mol, XLogP of 18.61, 12 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine;6-(4-cyclopropylquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;6-(8-fluoro-4-methylquinazolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine;5-(2-methyl-4-pyridinyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 157279151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).