N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C131H151BrClF3N36O10 — CID 161247628

About N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 161247628) has the molecular formula C131H151BrClF3N36O10 and a molecular weight of 2562.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 161247628
• Molecular Formula: C131H151BrClF3N36O10
• Molecular Weight: 2562.24 g/mol
• Exact Mass: 2559.12
• IUPAC Name: N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• SMILES: COc1ccc(CNc2nc3nc(C)cc(C4CCCOC4)n3n2)cc1.COc1ccc(CNc2nc3nc(C)cc(C4CCOC4)n3n2)cc1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)CCO4)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cccc(Br)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cccc(C(F)(F)F)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cccc(Cl)c3)nc2n1.Cc1cc(CNc2nc3nc(C)cc(C4(C)CCOCC4)n3n2)ccn1
• InChI: InChI=1S/C20H23N5O2.C19H20F3N5O.C19H24N6O.C19H23N5O2.C18H20BrN5O.C18H20ClN5O.C18H21N5O2/c1-13-10-17(15-4-7-26-8-5-15)25-20(22-13)23-19(24-25)21-12-14-2-3-18-16(11-14)6-9-27-18;1-12-9-16(14-5-7-28-8-6-14)27-18(24-12)25-17(26-27)23-11-13-3-2-4-15(10-13)19(20,21)22;1-13-10-15(4-7-20-13)12-21-17-23-18-22-14(2)11-16(25(18)24-17)19(3)5-8-26-9-6-19;1-13-10-17(15-4-3-9-26-12-15)24-19(21-13)22-18(23-24)20-11-14-5-7-16(25-2)8-6-14;2*1-12-9-16(14-5-7-25-8-6-14)24-18(21-12)22-17(23-24)20-11-13-3-2-4-15(19)10-13;1-12-9-16(14-7-8-25-11-14)23-18(20-12)21-17(22-23)19-10-13-3-5-15(24-2)6-4-13/h2-3,10-11,15H,4-9,12H2,1H3,(H,21,24);2-4,9-10,14H,5-8,11H2,1H3,(H,23,26);4,7,10-11H,5-6,8-9,12H2,1-3H3,(H,21,24);5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,20,23);2*2-4,9-10,14H,5-8,11H2,1H3,(H,20,23);3-6,9,14H,7-8,10-11H2,1-2H3,(H,19,22)
• InChIKey: VAVPNHJPTOYBET-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 490.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 30
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2562.24
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 161247628) is N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(C)cc(C4CCCOC4)n3n2)cc1.COc1ccc(CNc2nc3nc(C)cc(C4CCOC4)n3n2)cc1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc4c(c3)CCO4)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cccc(Br)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cccc(C(F)(F)F)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cccc(Cl)c3)nc2n1.Cc1cc(CNc2nc3nc(C)cc(C4(C)CCOCC4)n3n2)ccn1.

What is the InChIKey of N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is VAVPNHJPTOYBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.C19H20F3N5O.C19H24N6O.C19H23N5O2.C18H20BrN5O.C18H20ClN5O.C18H21N5O2/c1-13-10-17(15-4-7-26-8-5-15)25-20(22-13)23-19(24-25)21-12-14-2-3-18-16(11-14)6-9-27-18;1-12-9-16(14-5-7-28-8-6-14)27-18(24-12)25-17(26-27)23-11-13-3-2-4-15(10-13)19(20,21)22;1-13-10-15(4-7-20-13)12-21-17-23-18-22-14(2)11-16(25(18)24-17)19(3)5-8-26-9-6-19;1-13-10-17(15-4-3-9-26-12-15)24-19(21-13)22-18(23-24)20-11-14-5-7-16(25-2)8-6-14;2*1-12-9-16(14-5-7-25-8-6-14)24-18(21-12)22-17(23-24)20-11-13-3-2-4-15(19)10-13;1-12-9-16(14-7-8-25-11-14)23-18(20-12)21-17(22-23)19-10-13-3-5-15(24-2)6-4-13/h2-3,10-11,15H,4-9,12H2,1H3,(H,21,24);2-4,9-10,14H,5-8,11H2,1H3,(H,23,26);4,7,10-11H,5-6,8-9,12H2,1-3H3,(H,21,24);5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,20,23);2*2-4,9-10,14H,5-8,11H2,1H3,(H,20,23);3-6,9,14H,7-8,10-11H2,1-2H3,(H,19,22).

What are the key properties of N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2562.24 g/mol, XLogP of 22.45, 30 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-bromophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 161247628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).