4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol

C132H162N42O9 — CID 159990898

About 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol

4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol (PubChem CID 159990898) has the molecular formula C132H162N42O9 and a molecular weight of 2481.03 g/mol. Its IUPAC name is 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

• Compound Name: 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol
• PubChem CID: 159990898
• Molecular Formula: C132H162N42O9
• Molecular Weight: 2481.03 g/mol
• Exact Mass: 2479.35
• IUPAC Name: 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol
• SMILES: CC(C)(C)CC1CCCN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C1.CC(C)NC1CCN(c2ncc(-c3ccc(-c4ccn(C)n4)cc3O)nn2)C1.COc1cc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)ncn1.Cn1ccc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)cc1=O.Cn1cnc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)cc1=O.Cn1nnc2nc(-c3ccc(-c4cnc(N5CCC(NC(C)(C)C)C5)nn4)c(O)c3)ccc21
• InChI: InChI=1S/C23H27N9O.C23H28N6O2.2C22H27N7O2.C22H28N6O.C20H25N7O/c1-23(2,3)26-15-9-10-32(13-15)22-24-12-18(27-29-22)16-6-5-14(11-20(16)33)17-7-8-19-21(25-17)28-30-31(19)4;1-23(2,3)25-17-8-10-29(14-17)22-24-13-19(26-27-22)18-6-5-15(11-20(18)30)16-7-9-28(4)21(31)12-16;1-22(2,3)25-15-7-8-29(12-15)21-23-11-18(26-27-21)16-6-5-14(9-19(16)30)17-10-20(31)28(4)13-24-17;1-22(2,3)26-15-7-8-29(12-15)21-23-11-18(27-28-21)16-6-5-14(9-19(16)30)17-10-20(31-4)25-13-24-17;1-22(2,3)10-15-5-4-8-28(14-15)21-23-13-19(26-27-21)18-7-6-16(9-20(18)29)17-11-24-25-12-17;1-13(2)22-15-6-9-27(12-15)20-21-11-18(23-24-20)16-5-4-14(10-19(16)28)17-7-8-26(3)25-17/h5-8,11-12,15,26,33H,9-10,13H2,1-4H3;5-7,9,11-13,17,25,30H,8,10,14H2,1-4H3;5-6,9-11,13,15,25,30H,7-8,12H2,1-4H3;5-6,9-11,13,15,26,30H,7-8,12H2,1-4H3;6-7,9,11-13,15,29H,4-5,8,10,14H2,1-3H3,(H,24,25);4-5,7-8,10-11,13,15,22,28H,6,9,12H2,1-3H3
• InChIKey: OGXWTMNMOGIRGX-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 614.99 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 50
• Rotatable Bonds: 26
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2481.03
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol?

The IUPAC name of 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol (CID 159990898) is 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol.

What is the SMILES notation for 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol?

The canonical SMILES for 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol is CC(C)(C)CC1CCCN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)C1.CC(C)NC1CCN(c2ncc(-c3ccc(-c4ccn(C)n4)cc3O)nn2)C1.COc1cc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)ncn1.Cn1ccc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)cc1=O.Cn1cnc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)cc1=O.Cn1nnc2nc(-c3ccc(-c4cnc(N5CCC(NC(C)(C)C)C5)nn4)c(O)c3)ccc21.

What is the InChIKey of 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol?

The InChIKey is OGXWTMNMOGIRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O.C23H28N6O2.2C22H27N7O2.C22H28N6O.C20H25N7O/c1-23(2,3)26-15-9-10-32(13-15)22-24-12-18(27-29-22)16-6-5-14(11-20(16)33)17-7-8-19-21(25-17)28-30-31(19)4;1-23(2,3)25-17-8-10-29(14-17)22-24-13-19(26-27-22)18-6-5-15(11-20(18)30)16-7-9-28(4)21(31)12-16;1-22(2,3)25-15-7-8-29(12-15)21-23-11-18(26-27-21)16-6-5-14(9-19(16)30)17-10-20(31)28(4)13-24-17;1-22(2,3)26-15-7-8-29(12-15)21-23-11-18(27-28-21)16-6-5-14(9-19(16)30)17-10-20(31-4)25-13-24-17;1-22(2,3)10-15-5-4-8-28(14-15)21-23-13-19(26-27-21)18-7-6-16(9-20(18)29)17-11-24-25-12-17;1-13(2)22-15-6-9-27(12-15)20-21-11-18(23-24-20)16-5-4-14(10-19(16)28)17-7-8-26(3)25-17/h5-8,11-12,15,26,33H,9-10,13H2,1-4H3;5-7,9,11-13,17,25,30H,8,10,14H2,1-4H3;5-6,9-11,13,15,25,30H,7-8,12H2,1-4H3;5-6,9-11,13,15,26,30H,7-8,12H2,1-4H3;6-7,9,11-13,15,29H,4-5,8,10,14H2,1-3H3,(H,24,25);4-5,7-8,10-11,13,15,22,28H,6,9,12H2,1-3H3.

What are the key properties of 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol?

4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol has a molecular weight of 2481.03 g/mol, XLogP of 16.29, 26 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one;6-[4-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-3-hydroxyphenyl]-3-methylpyrimidin-4-one;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(6-methoxypyrimidin-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyltriazolo[4,5-b]pyridin-5-yl)phenol;2-[3-[3-(2,2-dimethylpropyl)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1-methylpyrazol-3-yl)-2-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 159990898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).