N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C97H78Cl2F27N35S — CID 157285649

About N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157285649) has the molecular formula C97H78Cl2F27N35S and a molecular weight of 2349.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157285649
• Molecular Formula: C97H78Cl2F27N35S
• Molecular Weight: 2349.85 g/mol
• Exact Mass: 2347.58
• IUPAC Name: N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1.Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(C)(F)F)nc2n1.Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1.Cc1cc(Nc2ccc(F)cc2)n2nc(C(F)(F)F)nc2n1.Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)cc1
• InChI: InChI=1S/2C15H15F2N5.C14H12ClF2N5.C14H9F6N5.C13H9ClF3N5.C13H9F8N5S.C13H9F4N5/c2*1-9-4-6-11(7-5-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-8-7-11(19-10-5-3-9(15)4-6-10)22-13(18-8)20-12(21-22)14(2,16)17;1-7-6-10(22-9-4-2-8(3-5-9)13(15,16)17)25-12(21-7)23-11(24-25)14(18,19)20;1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17;1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21;1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17/h2*4-8,19H,1-3H3;3-7,19H,1-2H3;2-6,22H,1H3;2-6,19H,1H3;2-6,23H,1H3;2-6,19H,1H3
• InChIKey: BAEWWSKSHXBEHF-UHFFFAOYSA-N
• XLogP: 28.38
• TPSA: 385.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.85
LogP ≤ 5	28.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 157285649) is N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1.Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(C)(F)F)nc2n1.Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1.Cc1cc(Nc2ccc(F)cc2)n2nc(C(F)(F)F)nc2n1.Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)n2nc(C(F)(F)F)nc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is BAEWWSKSHXBEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H15F2N5.C14H12ClF2N5.C14H9F6N5.C13H9ClF3N5.C13H9F8N5S.C13H9F4N5/c2*1-9-4-6-11(7-5-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14;1-8-7-11(19-10-5-3-9(15)4-6-10)22-13(18-8)20-12(21-22)14(2,16)17;1-7-6-10(22-9-4-2-8(3-5-9)13(15,16)17)25-12(21-7)23-11(24-25)14(18,19)20;1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17;1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21;1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17/h2*4-8,19H,1-3H3;3-7,19H,1-2H3;2-6,22H,1H3;2-6,19H,1H3;2-6,23H,1H3;2-6,19H,1H3.

What are the key properties of N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2349.85 g/mol, XLogP of 28.38, 18 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157285649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).