N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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

C125H137ClFN39O5 — CID 159041663

About N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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

N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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 (PubChem CID 159041663) has the molecular formula C125H137ClFN39O5 and a molecular weight of 2320.19 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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.

Molecular Properties

• Compound Name: N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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
• PubChem CID: 159041663
• Molecular Formula: C125H137ClFN39O5
• Molecular Weight: 2320.19 g/mol
• Exact Mass: 2318.13
• IUPAC Name: N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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
• SMILES: Cc1cc(C2(C)CC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.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(F)cc(Cl)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3oc(-c4ccccc4)nc3C)nc2n1
• InChI: InChI=1S/C22H25N7O.C22H24N6O2.C21H23N7O.2C21H23N7.C18H19ClFN5O/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;1-14-11-18(21(3)9-10-21)28-20(23-14)24-19(26-28)22-12-16-13-27(25-15(16)2)17-7-5-4-6-8-17;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;1-11-6-16(13-2-4-26-5-3-13)25-18(22-11)23-17(24-25)21-10-12-7-14(19)9-15(20)8-12/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);4-8,11,13H,9-10,12H2,1-3H3,(H,22,26);3-5,9-11,13,16H,6-8,12H2,1-2H3,(H,22,26);6-9,13H,2-5,10H2,1H3,(H,21,24)
• InChIKey: JWDBRXMRCLYENZ-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 464.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 29
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2320.19
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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?

The IUPAC name of N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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 (CID 159041663) is N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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.

What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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?

The canonical SMILES for N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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 is Cc1cc(C2(C)CC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.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(F)cc(Cl)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3oc(-c4ccccc4)nc3C)nc2n1.

What is the InChIKey of N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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?

The InChIKey is JWDBRXMRCLYENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O.C22H24N6O2.C21H23N7O.2C21H23N7.C18H19ClFN5O/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;1-14-11-18(21(3)9-10-21)28-20(23-14)24-19(26-28)22-12-16-13-27(25-15(16)2)17-7-5-4-6-8-17;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;1-11-6-16(13-2-4-26-5-3-13)25-18(22-11)23-17(24-25)21-10-12-7-14(19)9-15(20)8-12/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);4-8,11,13H,9-10,12H2,1-3H3,(H,22,26);3-5,9-11,13,16H,6-8,12H2,1-2H3,(H,22,26);6-9,13H,2-5,10H2,1H3,(H,21,24).

What are the key properties of N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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?

N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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 has a molecular weight of 2320.19 g/mol, XLogP of 21.41, 29 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-5-fluorophenyl)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-7-(1-methylcyclopropyl)-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 is sourced from PubChem (CID 159041663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).