N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C121H133ClF5N39O6 — CID 162036757

About N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 162036757) has the molecular formula C121H133ClF5N39O6 and a molecular weight of 2360.10 g/mol. Its IUPAC name is N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 162036757
• Molecular Formula: C121H133ClF5N39O6
• Molecular Weight: 2360.10 g/mol
• Exact Mass: 2358.09
• IUPAC Name: N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• SMILES: Cc1cc(C2CCC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.Cc1cc(C2CCOC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(-c4ccccc4)nn3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(C(F)(F)F)nn3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)c(Cl)c3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3oc(-c4ccccc4)nc3C)nc2n1
• InChI: InChI=1S/C22H25N7O.C22H24N6O2.C21H23N7O.C21H23N7.C18H18ClF2N5O.C17H20F3N7O/c1-15-12-20(17-8-10-30-11-9-17)29-22(24-15)25-21(27-29)23-14-18-13-19(26-28(18)2)16-6-4-3-5-7-16;1-14-12-18(16-8-10-29-11-9-16)28-22(24-14)26-21(27-28)23-13-19-15(2)25-20(30-19)17-6-4-3-5-7-17;1-14-10-19(16-8-9-29-13-16)28-21(23-14)24-20(26-28)22-11-17-12-27(25-15(17)2)18-6-4-3-5-7-18;1-14-11-19(16-7-6-8-16)28-21(23-14)24-20(26-28)22-12-17-13-27(25-15(17)2)18-9-4-3-5-10-18;1-10-8-14(11-4-6-27-7-5-11)26-18(23-10)24-17(25-26)22-9-12-2-3-13(20)15(19)16(12)21;1-10-7-13(11-3-5-28-6-4-11)27-16(22-10)23-15(25-27)21-9-12-8-14(17(18,19)20)24-26(12)2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,27);3-7,12,16H,8-11,13H2,1-2H3,(H,23,27);3-7,10,12,16H,8-9,11,13H2,1-2H3,(H,22,26);3-5,9-11,13,16H,6-8,12H2,1-2H3,(H,22,26);2-3,8,11H,4-7,9H2,1H3,(H,22,25);7-8,11H,3-6,9H2,1-2H3,(H,21,25)
• InChIKey: YWTCSCZGQPDFAI-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 474.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 28
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.10
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 162036757) is N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C2CCC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.Cc1cc(C2CCOC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(-c4ccccc4)nn3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(C(F)(F)F)nn3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)c(Cl)c3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3oc(-c4ccccc4)nc3C)nc2n1.

What is the InChIKey of N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is YWTCSCZGQPDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O.C22H24N6O2.C21H23N7O.C21H23N7.C18H18ClF2N5O.C17H20F3N7O/c1-15-12-20(17-8-10-30-11-9-17)29-22(24-15)25-21(27-29)23-14-18-13-19(26-28(18)2)16-6-4-3-5-7-16;1-14-12-18(16-8-10-29-11-9-16)28-22(24-14)26-21(27-28)23-13-19-15(2)25-20(30-19)17-6-4-3-5-7-17;1-14-10-19(16-8-9-29-13-16)28-21(23-14)24-20(26-28)22-11-17-12-27(25-15(17)2)18-6-4-3-5-7-18;1-14-11-19(16-7-6-8-16)28-21(23-14)24-20(26-28)22-12-17-13-27(25-15(17)2)18-9-4-3-5-10-18;1-10-8-14(11-4-6-27-7-5-11)26-18(23-10)24-17(25-26)22-9-12-2-3-13(20)15(19)16(12)21;1-10-7-13(11-3-5-28-6-4-11)27-16(22-10)23-15(25-27)21-9-12-8-14(17(18,19)20)24-26(12)2/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,27);3-7,12,16H,8-11,13H2,1-2H3,(H,23,27);3-7,10,12,16H,8-9,11,13H2,1-2H3,(H,22,26);3-5,9-11,13,16H,6-8,12H2,1-2H3,(H,22,26);2-3,8,11H,4-7,9H2,1H3,(H,22,25);7-8,11H,3-6,9H2,1-2H3,(H,21,25).

What are the key properties of N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2360.10 g/mol, XLogP of 20.65, 28 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;7-cyclobutyl-5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 162036757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).