N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C101H110ClN35OS — CID 162221254

About N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162221254) has the molecular formula C101H110ClN35OS and a molecular weight of 1897.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 162221254
• Molecular Formula: C101H110ClN35OS
• Molecular Weight: 1897.75 g/mol
• Exact Mass: 1895.90
• IUPAC Name: N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: CCc1c(C)nc2ncnn2c1Nc1ccc(C(C)C)cc1.CCc1c(C)nc2ncnn2c1Nc1ccc(C)cc1.CCc1ccc(Nc2cc(C)nc3ncnn23)cc1.COc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.CSc1ccc(Nc2cc(C)nc3ncnn23)cc1.Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C)nc2n1.Cc1cc(Nc2ccc(Cl)cc2)n2nc(C)nc2n1
• InChI: InChI=1S/C17H21N5.2C15H17N5.C14H15N5O.C14H15N5.C13H12ClN5.C13H13N5S/c1-5-15-12(4)20-17-18-10-19-22(17)16(15)21-14-8-6-13(7-9-14)11(2)3;1-9-5-6-13(7-10(9)2)18-14-8-11(3)16-15-17-12(4)19-20(14)15;1-4-13-11(3)18-15-16-9-17-20(15)14(13)19-12-7-5-10(2)6-8-12;1-9-4-6-11(7-5-9)16-12-8-10(2)15-13-17-14(20-3)18-19(12)13;1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14;1-8-7-12(17-11-5-3-10(14)4-6-11)19-13(15-8)16-9(2)18-19;1-9-7-12(18-13(16-9)14-8-15-18)17-10-3-5-11(19-2)6-4-10/h6-11,21H,5H2,1-4H3;5-8,18H,1-4H3;5-9,19H,4H2,1-3H3;4-8,16H,1-3H3;4-9,18H,3H2,1-2H3;3-7,17H,1-2H3;3-8,17H,1-2H3
• InChIKey: ZUDPIABKKKNFKY-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 395.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1897.75
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 162221254) is N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2ncnn2c1Nc1ccc(C(C)C)cc1.CCc1c(C)nc2ncnn2c1Nc1ccc(C)cc1.CCc1ccc(Nc2cc(C)nc3ncnn23)cc1.COc1nc2nc(C)cc(Nc3ccc(C)cc3)n2n1.CSc1ccc(Nc2cc(C)nc3ncnn23)cc1.Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C)nc2n1.Cc1cc(Nc2ccc(Cl)cc2)n2nc(C)nc2n1.

What is the InChIKey of N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is ZUDPIABKKKNFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5.2C15H17N5.C14H15N5O.C14H15N5.C13H12ClN5.C13H13N5S/c1-5-15-12(4)20-17-18-10-19-22(17)16(15)21-14-8-6-13(7-9-14)11(2)3;1-9-5-6-13(7-10(9)2)18-14-8-11(3)16-15-17-12(4)19-20(14)15;1-4-13-11(3)18-15-16-9-17-20(15)14(13)19-12-7-5-10(2)6-8-12;1-9-4-6-11(7-5-9)16-12-8-10(2)15-13-17-14(20-3)18-19(12)13;1-3-11-4-6-12(7-5-11)18-13-8-10(2)17-14-15-9-16-19(13)14;1-8-7-12(17-11-5-3-10(14)4-6-11)19-13(15-8)16-9(2)18-19;1-9-7-12(18-13(16-9)14-8-15-18)17-10-3-5-11(19-2)6-4-10/h6-11,21H,5H2,1-4H3;5-8,18H,1-4H3;5-9,19H,4H2,1-3H3;4-8,16H,1-3H3;4-9,18H,3H2,1-2H3;3-7,17H,1-2H3;3-8,17H,1-2H3.

What are the key properties of N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1897.75 g/mol, XLogP of 21.28, 20 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(3,4-dimethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-ethyl-5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(4-ethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-methoxy-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162221254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).