N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C97H106Cl2F4N30O — CID 161459505

About N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161459505) has the molecular formula C97H106Cl2F4N30O and a molecular weight of 1855.02 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 161459505
• Molecular Formula: C97H106Cl2F4N30O
• Molecular Weight: 1855.02 g/mol
• Exact Mass: 1852.85
• IUPAC Name: N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: C.C.CCOc1nc2nc(C)cc(Nc3cc(F)c(C)c(F)c3)n2n1.Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2ncnc2n1.Cc1cc(NC2CCc3cc(F)ccc3C2)n2ncnc2n1.Cc1cc(NC2Cc3cc(C)c(Cl)cc3C2)n2ncnc2n1.Cc1cc(NC2Cc3cc(C)c(F)cc3C2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(C)C)nn23)cc1
• InChI: InChI=1S/2C16H16ClN5.2C16H16FN5.C16H19N5.C15H15F2N5O.2CH4/c1-9-3-11-5-13(6-12(11)7-14(9)17)21-15-4-10(2)20-16-18-8-19-22(15)16;1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14;1-9-3-11-5-13(6-12(11)7-14(9)17)21-15-4-10(2)20-16-18-8-19-22(15)16;1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14;1-10(2)15-19-16-17-12(4)9-14(21(16)20-15)18-13-7-5-11(3)6-8-13;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;;/h3-4,7-8,13,21H,5-6H2,1-2H3;2,4,6-7,9,14,21H,3,5,8H2,1H3;3-4,7-8,13,21H,5-6H2,1-2H3;2,4,6-7,9,14,21H,3,5,8H2,1H3;5-10,18H,1-4H3;5-7,19H,4H2,1-3H3;2*1H4
• InChIKey: WBPKVMSVCFVRTD-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 339.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1855.02
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 161459505) is N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

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

The canonical SMILES for N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C.C.CCOc1nc2nc(C)cc(Nc3cc(F)c(C)c(F)c3)n2n1.Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2ncnc2n1.Cc1cc(NC2CCc3cc(F)ccc3C2)n2ncnc2n1.Cc1cc(NC2Cc3cc(C)c(Cl)cc3C2)n2ncnc2n1.Cc1cc(NC2Cc3cc(C)c(F)cc3C2)n2ncnc2n1.Cc1ccc(Nc2cc(C)nc3nc(C(C)C)nn23)cc1.

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

The InChIKey is WBPKVMSVCFVRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16ClN5.2C16H16FN5.C16H19N5.C15H15F2N5O.2CH4/c1-9-3-11-5-13(6-12(11)7-14(9)17)21-15-4-10(2)20-16-18-8-19-22(15)16;1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14;1-9-3-11-5-13(6-12(11)7-14(9)17)21-15-4-10(2)20-16-18-8-19-22(15)16;1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14;1-10(2)15-19-16-17-12(4)9-14(21(16)20-15)18-13-7-5-11(3)6-8-13;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;;/h3-4,7-8,13,21H,5-6H2,1-2H3;2,4,6-7,9,14,21H,3,5,8H2,1H3;3-4,7-8,13,21H,5-6H2,1-2H3;2,4,6-7,9,14,21H,3,5,8H2,1H3;5-10,18H,1-4H3;5-7,19H,4H2,1-3H3;2*1H4.

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

N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1855.02 g/mol, XLogP of 19.07, 15 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-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;N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161459505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).