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

C93H94F12N30O — CID 159764371

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

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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159764371) has the molecular formula C93H94F12N30O and a molecular weight of 1875.96 g/mol. Its IUPAC name is 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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159764371
• Molecular Formula: C93H94F12N30O
• Molecular Weight: 1875.96 g/mol
• Exact Mass: 1874.80
• IUPAC Name: 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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[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)c(F)c3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1ccc(Nc2cc(C)nc3nc(C4CC4)nn23)cc1
• InChI: InChI=1S/2C16H17F2N5.C16H17N5.C15H13F4N5.C15H14F3N5.C15H16FN5O/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;1-10-3-7-13(8-4-10)18-14-9-11(2)17-16-19-15(12-5-6-12)20-21(14)16;1-7-4-12(21-9-5-10(16)8(2)11(17)6-9)24-14(20-7)22-13(23-24)15(3,18)19;1-8-4-5-10(7-11(8)16)20-12-6-9(2)19-14-21-13(15(3,17)18)22-23(12)14;1-4-22-15-19-14-17-10(3)7-13(21(14)20-15)18-11-6-5-9(2)12(16)8-11/h2*5-9,20H,4H2,1-3H3;3-4,7-9,12,18H,5-6H2,1-2H3;4-6,21H,1-3H3;4-7,20H,1-3H3;5-8,18H,4H2,1-3H3
• InChIKey: NFHPNBIGSJNMTK-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 339.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.96
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 159764371) is 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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

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

The canonical SMILES for 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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[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)c(F)c3)n2n1.Cc1cc(Nc2cc(F)c(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1cc(Nc2ccc(C)c(F)c2)n2nc(C(C)(F)F)nc2n1.Cc1ccc(Nc2cc(C)nc3nc(C4CC4)nn23)cc1.

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

The InChIKey is NFHPNBIGSJNMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17F2N5.C16H17N5.C15H13F4N5.C15H14F3N5.C15H16FN5O/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;1-10-3-7-13(8-4-10)18-14-9-11(2)17-16-19-15(12-5-6-12)20-21(14)16;1-7-4-12(21-9-5-10(16)8(2)11(17)6-9)24-14(20-7)22-13(23-24)15(3,18)19;1-8-4-5-10(7-11(8)16)20-12-6-9(2)19-14-21-13(15(3,17)18)22-23(12)14;1-4-22-15-19-14-17-10(3)7-13(21(14)20-15)18-11-6-5-9(2)12(16)8-11/h2*5-9,20H,4H2,1-3H3;3-4,7-9,12,18H,5-6H2,1-2H3;4-6,21H,1-3H3;4-7,20H,1-3H3;5-8,18H,4H2,1-3H3.

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

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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1875.96 g/mol, XLogP of 21.97, 21 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[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-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159764371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).