8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C96H81F10N31 — CID 158323489

About 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 158323489) has the molecular formula C96H81F10N31 and a molecular weight of 1858.90 g/mol. Its IUPAC name is 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 158323489
• Molecular Formula: C96H81F10N31
• Molecular Weight: 1858.90 g/mol
• Exact Mass: 1857.71
• IUPAC Name: 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(CN2CCN(C)CC2)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3cnnc23)cc(C)n1
• InChI: InChI=1S/C23H26N8.C19H17N5.C18H11F5N6.C18H12F4N6.C18H15FN6/c1-16-12-18(13-19(26-16)14-30-10-8-29(2)9-11-30)20-21(17-6-4-3-5-7-17)27-23(24)31-15-25-28-22(20)31;1-12-10-15(11-13(2)22-12)16-17(14-6-4-3-5-7-14)23-19(20)24-9-8-21-18(16)24;1-8-4-9(5-13(26-8)18(21,22)23)14-15(11-3-2-10(19)6-12(11)20)27-17(24)29-7-25-28-16(14)29;1-8-4-9(5-13(25-8)16(21)22)14-15(11-3-2-10(19)6-12(11)20)26-18(23)28-7-24-27-17(14)28;1-10-7-12(8-11(2)22-10)15-16(13-5-3-4-6-14(13)19)23-18(20)25-9-21-24-17(15)25/h3-7,12-13,15H,8-11,14H2,1-2H3,(H2,24,27);3-11H,1-2H3,(H2,20,23);2-7H,1H3,(H2,24,27);2-7,16H,1H3,(H2,23,26);3-9H,1-2H3,(H2,20,23)
• InChIKey: GPCZBQBVIYTUTF-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 403.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1858.90
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The IUPAC name of 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 158323489) is 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

What is the SMILES notation for 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The canonical SMILES for 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3F)nc(N)n3cnnc23)cc(C(F)F)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3ccnc23)cc(C)n1.Cc1cc(-c2c(-c3ccccc3)nc(N)n3cnnc23)cc(CN2CCN(C)CC2)n1.Cc1cc(-c2c(-c3ccccc3F)nc(N)n3cnnc23)cc(C)n1.

What is the InChIKey of 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The InChIKey is GPCZBQBVIYTUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8.C19H17N5.C18H11F5N6.C18H12F4N6.C18H15FN6/c1-16-12-18(13-19(26-16)14-30-10-8-29(2)9-11-30)20-21(17-6-4-3-5-7-17)27-23(24)31-15-25-28-22(20)31;1-12-10-15(11-13(2)22-12)16-17(14-6-4-3-5-7-14)23-19(20)24-9-8-21-18(16)24;1-8-4-9(5-13(26-8)18(21,22)23)14-15(11-3-2-10(19)6-12(11)20)27-17(24)29-7-25-28-16(14)29;1-8-4-9(5-13(25-8)16(21)22)14-15(11-3-2-10(19)6-12(11)20)26-18(23)28-7-24-27-17(14)28;1-10-7-12(8-11(2)22-10)15-16(13-5-3-4-6-14(13)19)23-18(20)25-9-21-24-17(15)25/h3-7,12-13,15H,8-11,14H2,1-2H3,(H2,24,27);3-11H,1-2H3,(H2,20,23);2-7H,1H3,(H2,24,27);2-7,16H,1H3,(H2,23,26);3-9H,1-2H3,(H2,20,23).

What are the key properties of 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 1858.90 g/mol, XLogP of 17.34, 13 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;8-[2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 158323489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).