N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C114H134F4N36O6 — CID 161258759

About N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 161258759) has the molecular formula C114H134F4N36O6 and a molecular weight of 2180.56 g/mol. Its IUPAC name is N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 161258759
• Molecular Formula: C114H134F4N36O6
• Molecular Weight: 2180.56 g/mol
• Exact Mass: 2179.12
• IUPAC Name: N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• SMILES: COc1ccc(CNc2nc3nc(C)cc(C4(C)CC4)n3n2)cc1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(C#N)ccc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(C#N)ccc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)cc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cn(C(C)C)nc3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cn(C4CCCC4)nc3C)nc2n1
• InChI: InChI=1S/C21H29N7O.2C19H19FN6O.C19H27N7O.C18H19F2N5O.C18H21N5O/c1-14-11-19(16-7-9-29-10-8-16)28-21(23-14)24-20(26-28)22-12-17-13-27(25-15(17)2)18-5-3-4-6-18;2*1-12-8-17(14-4-6-27-7-5-14)26-19(23-12)24-18(25-26)22-11-15-9-13(10-21)2-3-16(15)20;1-12(2)25-11-16(14(4)23-25)10-20-18-22-19-21-13(3)9-17(26(19)24-18)15-5-7-27-8-6-15;1-11-8-16(12-4-6-26-7-5-12)25-18(22-11)23-17(24-25)21-10-13-2-3-14(19)9-15(13)20;1-12-10-15(18(2)8-9-18)23-17(20-12)21-16(22-23)19-11-13-4-6-14(24-3)7-5-13/h11,13,16,18H,3-10,12H2,1-2H3,(H,22,26);2*2-3,8-9,14H,4-7,11H2,1H3,(H,22,25);9,11-12,15H,5-8,10H2,1-4H3,(H,20,24);2-3,8-9,12H,4-7,10H2,1H3,(H,21,24);4-7,10H,8-9,11H2,1-3H3,(H,19,22)
• InChIKey: VCGURUYZNNJUKD-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 469.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.56
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 161258759) is N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(CNc2nc3nc(C)cc(C4(C)CC4)n3n2)cc1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(C#N)ccc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cc(C#N)ccc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3ccc(F)cc3F)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cn(C(C)C)nc3C)nc2n1.Cc1cc(C2CCOCC2)n2nc(NCc3cn(C4CCCC4)nc3C)nc2n1.

What is the InChIKey of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is VCGURUYZNNJUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O.2C19H19FN6O.C19H27N7O.C18H19F2N5O.C18H21N5O/c1-14-11-19(16-7-9-29-10-8-16)28-21(23-14)24-20(26-28)22-12-17-13-27(25-15(17)2)18-5-3-4-6-18;2*1-12-8-17(14-4-6-27-7-5-14)26-19(23-12)24-18(25-26)22-11-15-9-13(10-21)2-3-16(15)20;1-12(2)25-11-16(14(4)23-25)10-20-18-22-19-21-13(3)9-17(26(19)24-18)15-5-7-27-8-6-15;1-11-8-16(12-4-6-26-7-5-12)25-18(22-11)23-17(24-25)21-10-13-2-3-14(19)9-15(13)20;1-12-10-15(18(2)8-9-18)23-17(20-12)21-16(22-23)19-11-13-4-6-14(24-3)7-5-13/h11,13,16,18H,3-10,12H2,1-2H3,(H,22,26);2*2-3,8-9,14H,4-7,11H2,1H3,(H,22,25);9,11-12,15H,5-8,10H2,1-4H3,(H,20,24);2-3,8-9,12H,4-7,10H2,1H3,(H,21,24);4-7,10H,8-9,11H2,1-3H3,(H,19,22).

What are the key properties of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?

N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2180.56 g/mol, XLogP of 18.80, 27 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,4-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;bis(4-fluoro-3-[[[5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]methyl]benzonitrile);N-[(4-methoxyphenyl)methyl]-5-methyl-7-(1-methylcyclopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 161258759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).