N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C120H132F7N37O6 — CID 159494548

About N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 159494548) has the molecular formula C120H132F7N37O6 and a molecular weight of 2321.61 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 159494548
• Molecular Formula: C120H132F7N37O6
• Molecular Weight: 2321.61 g/mol
• Exact Mass: 2320.10
• IUPAC Name: N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• SMILES: Cc1cc(C2(C)CCOCC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.Cc1cc(C2(C)CCOCC2)n2nc(NCc3cnn(-c4ccccc4)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)c(F)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccnc(C(F)(F)F)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccnc(C(F)F)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccnc4ccccc34)nc2n1
• InChI: InChI=1S/C23H27N7O.C22H25N7O.C21H22N6O.C18H19F3N6O.C18H20F2N6O.C18H19F2N5O/c1-16-13-20(23(3)9-11-31-12-10-23)30-22(25-16)26-21(28-30)24-14-18-15-29(27-17(18)2)19-7-5-4-6-8-19;1-16-12-19(22(2)8-10-30-11-9-22)29-21(25-16)26-20(27-29)23-13-17-14-24-28(15-17)18-6-4-3-5-7-18;1-14-12-19(15-7-10-28-11-8-15)27-21(24-14)25-20(26-27)23-13-16-6-9-22-18-5-3-2-4-17(16)18;1-11-8-14(13-3-6-28-7-4-13)27-17(24-11)25-16(26-27)23-10-12-2-5-22-15(9-12)18(19,20)21;1-11-8-15(13-3-6-27-7-4-13)26-18(23-11)24-17(25-26)22-10-12-2-5-21-14(9-12)16(19)20;1-11-8-16(13-4-6-26-7-5-13)25-18(22-11)23-17(24-25)21-10-12-2-3-14(19)15(20)9-12/h4-8,13,15H,9-12,14H2,1-3H3,(H,24,28);3-7,12,14-15H,8-11,13H2,1-2H3,(H,23,27);2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,23,26);2,5,8-9,13H,3-4,6-7,10H2,1H3,(H,23,26);2,5,8-9,13,16H,3-4,6-7,10H2,1H3,(H,22,25);2-3,8-9,13H,4-7,10H2,1H3,(H,21,24)
• InChIKey: LYPTUHMHOUZYJM-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 460.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 27
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2321.61
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 159494548) is N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C2(C)CCOCC2)n2nc(NCc3cn(-c4ccccc4)nc3C)nc2n1.Cc1cc(C2(C)CCOCC2)n2nc(NCc3cnn(-c4ccccc4)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)c(F)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccnc(C(F)(F)F)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccnc(C(F)F)c3)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccnc4ccccc34)nc2n1.

What is the InChIKey of N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is LYPTUHMHOUZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O.C22H25N7O.C21H22N6O.C18H19F3N6O.C18H20F2N6O.C18H19F2N5O/c1-16-13-20(23(3)9-11-31-12-10-23)30-22(25-16)26-21(28-30)24-14-18-15-29(27-17(18)2)19-7-5-4-6-8-19;1-16-12-19(22(2)8-10-30-11-9-22)29-21(25-16)26-20(27-29)23-13-17-14-24-28(15-17)18-6-4-3-5-7-18;1-14-12-19(15-7-10-28-11-8-15)27-21(24-14)25-20(26-27)23-13-16-6-9-22-18-5-3-2-4-17(16)18;1-11-8-14(13-3-6-28-7-4-13)27-17(24-11)25-16(26-27)23-10-12-2-5-22-15(9-12)18(19,20)21;1-11-8-15(13-3-6-27-7-4-13)26-18(23-11)24-17(25-26)22-10-12-2-5-21-14(9-12)16(19)20;1-11-8-16(13-4-6-26-7-5-13)25-18(22-11)23-17(24-25)21-10-12-2-3-14(19)15(20)9-12/h4-8,13,15H,9-12,14H2,1-3H3,(H,24,28);3-7,12,14-15H,8-11,13H2,1-2H3,(H,23,27);2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,23,26);2,5,8-9,13H,3-4,6-7,10H2,1H3,(H,23,26);2,5,8-9,13,16H,3-4,6-7,10H2,1H3,(H,22,25);2-3,8-9,13H,4-7,10H2,1H3,(H,21,24).

What are the key properties of N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2321.61 g/mol, XLogP of 20.23, 27 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(difluoromethyl)-4-pyridinyl]methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-(quinolin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(oxan-4-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 159494548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).