N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C112H120F5N35S — CID 159281192

About N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159281192) has the molecular formula C112H120F5N35S and a molecular weight of 2083.49 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159281192
• Molecular Formula: C112H120F5N35S
• Molecular Weight: 2083.49 g/mol
• Exact Mass: 2082.01
• IUPAC Name: N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: C.C.Cc1cc(NC2CCc3ccccc3C2)n2nc(C)nc2n1.Cc1cc(NC2CCc3ccccc3C2)n2ncnc2n1.Cc1cc(NC2Cc3ccccc3C2)n2nc(C)nc2n1.Cc1cc(Nc2ccc3c(c2)CCCC3)n2nc(C)nc2n1.Cc1cc(Nc2ccc3sccc3c2)n2nc(C)nc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1
• InChI: InChI=1S/2C17H19N5.2C16H17N5.C15H15F2N5.C15H13N5S.C14H12F3N5.2CH4/c2*1-11-9-16(22-17(18-11)19-12(2)21-22)20-15-8-7-13-5-3-4-6-14(13)10-15;1-10-7-15(21-16(17-10)18-11(2)20-21)19-14-8-12-5-3-4-6-13(12)9-14;1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14;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;1-9-7-14(20-15(16-9)17-10(2)19-20)18-12-3-4-13-11(8-12)5-6-21-13;1-8-3-5-10(6-4-8)19-11-7-9(2)18-13-20-12(14(15,16)17)21-22(11)13;;/h7-10,20H,3-6H2,1-2H3;3-6,9,15,20H,7-8,10H2,1-2H3;3-7,14,19H,8-9H2,1-2H3;2-5,8,10,14,20H,6-7,9H2,1H3;4-8,19H,1-3H3;3-8,18H,1-2H3;3-7,19H,1-2H3;2*1H4
• InChIKey: KYXZWRPTEPAEFG-UHFFFAOYSA-N
• XLogP: 22.87
• TPSA: 385.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 15
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2083.49
LogP ≤ 5	22.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 159281192) is N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C.C.Cc1cc(NC2CCc3ccccc3C2)n2nc(C)nc2n1.Cc1cc(NC2CCc3ccccc3C2)n2ncnc2n1.Cc1cc(NC2Cc3ccccc3C2)n2nc(C)nc2n1.Cc1cc(Nc2ccc3c(c2)CCCC3)n2nc(C)nc2n1.Cc1cc(Nc2ccc3sccc3c2)n2nc(C)nc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)cc1.Cc1ccc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc1.

What is the InChIKey of N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is KYXZWRPTEPAEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19N5.2C16H17N5.C15H15F2N5.C15H13N5S.C14H12F3N5.2CH4/c2*1-11-9-16(22-17(18-11)19-12(2)21-22)20-15-8-7-13-5-3-4-6-14(13)10-15;1-10-7-15(21-16(17-10)18-11(2)20-21)19-14-8-12-5-3-4-6-13(12)9-14;1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14;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;1-9-7-14(20-15(16-9)17-10(2)19-20)18-12-3-4-13-11(8-12)5-6-21-13;1-8-3-5-10(6-4-8)19-11-7-9(2)18-13-20-12(14(15,16)17)21-22(11)13;;/h7-10,20H,3-6H2,1-2H3;3-6,9,15,20H,7-8,10H2,1-2H3;3-7,14,19H,8-9H2,1-2H3;2-5,8,10,14,20H,6-7,9H2,1H3;4-8,19H,1-3H3;3-8,18H,1-2H3;3-7,19H,1-2H3;2*1H4.

What are the key properties of N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2083.49 g/mol, XLogP of 22.87, 15 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzothiophen-5-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(2,3-dihydro-1H-inden-2-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159281192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).