2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C91H85F19N30O — CID 158433463

About 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158433463) has the molecular formula C91H85F19N30O and a molecular weight of 1975.85 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158433463
• Molecular Formula: C91H85F19N30O
• Molecular Weight: 1975.85 g/mol
• Exact Mass: 1974.72
• IUPAC Name: 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[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.CCOc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2cc(F)c(C(F)(F)F)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(F)(F)F)nc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2nc(C(C)(F)F)nc2n1
• InChI: InChI=1S/2C16H17F2N5.C15H10F7N5.C15H14F3N5.C15H17N5O.C14H10F5N5/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;1-6-3-10(27-13(23-6)25-12(26-27)14(2,18)19)24-7-4-8(16)11(9(17)5-7)15(20,21)22;1-8-4-5-10(7-11(8)16)20-12-6-9(2)19-14-21-13(15(3,17)18)22-23(12)14;1-4-21-15-18-14-16-11(3)9-13(20(14)19-15)17-12-7-5-10(2)6-8-12;1-6-3-11(21-8-4-9(15)7(2)10(16)5-8)24-13(20-6)22-12(23-24)14(17,18)19/h2*5-9,20H,4H2,1-3H3;3-5,24H,1-2H3;4-7,20H,1-3H3;5-9,17H,4H2,1-3H3;3-5,21H,1-2H3
• InChIKey: HBYAVXDMJRNBML-UHFFFAOYSA-N
• XLogP: 22.96
• TPSA: 339.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1975.85
LogP ≤ 5	22.96
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-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 158433463) is 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[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-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[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.CCOc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.Cc1cc(Nc2cc(F)c(C(F)(F)F)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(F)(F)F)nc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.

What is the InChIKey of 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is HBYAVXDMJRNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17F2N5.C15H10F7N5.C15H14F3N5.C15H17N5O.C14H10F5N5/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;1-6-3-10(27-13(23-6)25-12(26-27)14(2,18)19)24-7-4-8(16)11(9(17)5-7)15(20,21)22;1-8-4-5-10(7-11(8)16)20-12-6-9(2)19-14-21-13(15(3,17)18)22-23(12)14;1-4-21-15-18-14-16-11(3)9-13(20(14)19-15)17-12-7-5-10(2)6-8-12;1-6-3-11(21-8-4-9(15)7(2)10(16)5-8)24-13(20-6)22-12(23-24)14(17,18)19/h2*5-9,20H,4H2,1-3H3;3-5,24H,1-2H3;4-7,20H,1-3H3;5-9,17H,4H2,1-3H3;3-5,21H,1-2H3.

What are the key properties of 2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

2-(1,1-difluoroethyl)-N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1975.85 g/mol, XLogP of 22.96, 20 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-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,5-difluoro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[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-ethoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158433463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).