bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C93H95F7N30O2 — CID 159037048

About bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159037048) has the molecular formula C93H95F7N30O2 and a molecular weight of 1797.98 g/mol. Its IUPAC name is bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159037048
• Molecular Formula: C93H95F7N30O2
• Molecular Weight: 1797.98 g/mol
• Exact Mass: 1796.81
• IUPAC Name: bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: CCOc1nc2nc(C)cc(Nc3cc(F)c(C)c(F)c3)n2n1.CCOc1nc2nc(C)cc(Nc3ccc(C)c(F)c3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1ccc(Nc2cc(C)nc3nc(C4CC4)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C4CC4)nn23)cc1.Cc1ccc2c(c1)CC(Nc1cc(C)nc3ncnn13)C2
• InChI: InChI=1S/3C16H17N5.C15H13F4N5.C15H15F2N5O.C15H16FN5O/c2*1-10-3-7-13(8-4-10)18-14-9-11(2)17-16-19-15(12-5-6-12)20-21(14)16;1-10-3-4-12-7-14(8-13(12)5-10)20-15-6-11(2)19-16-17-9-18-21(15)16;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;1-4-23-15-20-14-18-8(2)5-13(22(14)21-15)19-10-6-11(16)9(3)12(17)7-10;1-4-22-15-19-14-17-10(3)7-13(21(14)20-15)18-11-6-5-9(2)12(16)8-11/h2*3-4,7-9,12,18H,5-6H2,1-2H3;3-6,9,14,20H,7-8H2,1-2H3;4-6,21H,1-3H3;5-7,19H,4H2,1-3H3;5-8,18H,4H2,1-3H3
• InChIKey: JVOVZTMUDMTFAZ-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 349.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.98
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 159037048) is bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCOc1nc2nc(C)cc(Nc3cc(F)c(C)c(F)c3)n2n1.CCOc1nc2nc(C)cc(Nc3ccc(C)c(F)c3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1ccc(Nc2cc(C)nc3nc(C4CC4)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C4CC4)nn23)cc1.Cc1ccc2c(c1)CC(Nc1cc(C)nc3ncnn13)C2.

What is the InChIKey of bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is JVOVZTMUDMTFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H17N5.C15H13F4N5.C15H15F2N5O.C15H16FN5O/c2*1-10-3-7-13(8-4-10)18-14-9-11(2)17-16-19-15(12-5-6-12)20-21(14)16;1-10-3-4-12-7-14(8-13(12)5-10)20-15-6-11(2)19-16-17-9-18-21(15)16;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;1-4-23-15-20-14-18-8(2)5-13(22(14)21-15)19-10-6-11(16)9(3)12(17)7-10;1-4-22-15-19-14-17-10(3)7-13(21(14)20-15)18-11-6-5-9(2)12(16)8-11/h2*3-4,7-9,12,18H,5-6H2,1-2H3;3-6,9,14,20H,7-8H2,1-2H3;4-6,21H,1-3H3;5-7,19H,4H2,1-3H3;5-8,18H,4H2,1-3H3.

What are the key properties of bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1797.98 g/mol, XLogP of 19.10, 19 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[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-ethoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-ethoxy-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159037048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).