2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C90H91F11N30S — CID 158051822

About 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158051822) has the molecular formula C90H91F11N30S and a molecular weight of 1833.97 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158051822
• Molecular Formula: C90H91F11N30S
• Molecular Weight: 1833.97 g/mol
• Exact Mass: 1832.76
• IUPAC Name: 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.CCc1nc2nc(C)cc(Nc3ccc(C)c(F)c3)n2n1.CSc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C)nc2n1
• InChI: InChI=1S/2C16H17F2N5.C15H13F4N5.C15H16FN5.C14H13F2N5.C14H15N5S/c2*1-4-16(17,18)14-21-15-19-11(3)9-13(23(15)22-14)20-12-7-5-10(2)6-8-12;1-7-4-12(21-9-5-10(16)8(2)11(17)6-9)24-14(20-7)22-13(23-24)15(3,18)19;1-4-13-19-15-17-10(3)7-14(21(15)20-13)18-11-6-5-9(2)12(16)8-11;1-7-4-13(21-14(17-7)18-9(3)20-21)19-10-5-11(15)8(2)12(16)6-10;1-9-4-6-11(7-5-9)16-12-8-10(2)15-13-17-14(20-3)18-19(12)13/h2*5-9,20H,4H2,1-3H3;4-6,21H,1-3H3;5-8,18H,4H2,1-3H3;4-6,19H,1-3H3;4-8,16H,1-3H3
• InChIKey: FJOOQGKCOZHJND-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 330.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1833.97
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 158051822) is 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.CCc1nc2nc(C)cc(Nc3ccc(C)c(F)c3)n2n1.CSc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C)nc2n1.

What is the InChIKey of 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FJOOQGKCOZHJND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17F2N5.C15H13F4N5.C15H16FN5.C14H13F2N5.C14H15N5S/c2*1-4-16(17,18)14-21-15-19-11(3)9-13(23(15)22-14)20-12-7-5-10(2)6-8-12;1-7-4-12(21-9-5-10(16)8(2)11(17)6-9)24-14(20-7)22-13(23-24)15(3,18)19;1-4-13-19-15-17-10(3)7-14(21(15)20-13)18-11-6-5-9(2)12(16)8-11;1-7-4-13(21-14(17-7)18-9(3)20-21)19-10-5-11(15)8(2)12(16)6-10;1-9-4-6-11(7-5-9)16-12-8-10(2)15-13-17-14(20-3)18-19(12)13/h2*5-9,20H,4H2,1-3H3;4-6,21H,1-3H3;5-8,18H,4H2,1-3H3;4-6,19H,1-3H3;4-8,16H,1-3H3.

What are the key properties of 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1833.97 g/mol, XLogP of 21.31, 19 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);2-ethyl-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158051822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).