2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol

C129H160N46O6 — CID 158345110

About 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol

2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol (PubChem CID 158345110) has the molecular formula C129H160N46O6 and a molecular weight of 2451.01 g/mol. Its IUPAC name is 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol.

Molecular Properties

• Compound Name: 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol
• PubChem CID: 158345110
• Molecular Formula: C129H160N46O6
• Molecular Weight: 2451.01 g/mol
• Exact Mass: 2449.36
• IUPAC Name: 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol
• SMILES: CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4ccn5nncc5c4)cc3O)nn2)C1.CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC1.CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4ncccn4)cc3O)nn2)C1.CN1N=CC2C=C(c3ccc(-c4cnc(N5CCC(NC(C)(C)C)C5)nn4)c(O)c3)C=CC21.Cn1ncc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)n1.Cn1nnc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)n1
• InChI: InChI=1S/C25H31N7O.C23H26N8O.C21H25N7O.C21H27N7O.C20H26N8O.C19H25N9O/c1-25(2,3)28-19-9-10-32(15-19)24-26-14-21(29-30-24)20-7-5-17(12-23(20)33)16-6-8-22-18(11-16)13-27-31(22)4;1-23(2,3)26-17-7-8-30(14-17)22-24-13-20(27-28-22)19-5-4-15(11-21(19)32)16-6-9-31-18(10-16)12-25-29-31;1-21(2,3)25-15-7-10-28(13-15)20-24-12-17(26-27-20)16-6-5-14(11-18(16)29)19-22-8-4-9-23-19;1-21(2,3)25-16-6-8-28(9-7-16)20-22-13-18(26-27-20)17-5-4-14(10-19(17)29)15-11-23-24-12-15;1-20(2,3)23-14-7-8-28(12-14)19-21-10-17(24-25-19)15-6-5-13(9-18(15)29)16-11-22-27(4)26-16;1-19(2,3)21-13-7-8-28(11-13)18-20-10-15(22-24-18)14-6-5-12(9-16(14)29)17-23-26-27(4)25-17/h5-8,11-14,18-19,22,28,33H,9-10,15H2,1-4H3;4-6,9-13,17,26,32H,7-8,14H2,1-3H3;4-6,8-9,11-12,15,25,29H,7,10,13H2,1-3H3;4-5,10-13,16,25,29H,6-9H2,1-3H3,(H,23,24);5-6,9-11,14,23,29H,7-8,12H2,1-4H3;5-6,9-10,13,21,29H,7-8,11H2,1-4H3
• InChIKey: GRQGJXJJTZOEML-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 619.58 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 51
• Rotatable Bonds: 24
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2451.01
LogP ≤ 5	15.07
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol?

The IUPAC name of 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol (CID 158345110) is 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol.

What is the SMILES notation for 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol?

The canonical SMILES for 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol is CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4ccn5nncc5c4)cc3O)nn2)C1.CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC1.CC(C)(C)NC1CCN(c2ncc(-c3ccc(-c4ncccn4)cc3O)nn2)C1.CN1N=CC2C=C(c3ccc(-c4cnc(N5CCC(NC(C)(C)C)C5)nn4)c(O)c3)C=CC21.Cn1ncc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)n1.Cn1nnc(-c2ccc(-c3cnc(N4CCC(NC(C)(C)C)C4)nn3)c(O)c2)n1.

What is the InChIKey of 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol?

The InChIKey is GRQGJXJJTZOEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O.C23H26N8O.C21H25N7O.C21H27N7O.C20H26N8O.C19H25N9O/c1-25(2,3)28-19-9-10-32(15-19)24-26-14-21(29-30-24)20-7-5-17(12-23(20)33)16-6-8-22-18(11-16)13-27-31(22)4;1-23(2,3)26-17-7-8-30(14-17)22-24-13-20(27-28-22)19-5-4-15(11-21(19)32)16-6-9-31-18(10-16)12-25-29-31;1-21(2,3)25-15-7-10-28(13-15)20-24-12-17(26-27-20)16-6-5-14(11-18(16)29)19-22-8-4-9-23-19;1-21(2,3)25-16-6-8-28(9-7-16)20-22-13-18(26-27-20)17-5-4-14(10-19(17)29)15-11-23-24-12-15;1-20(2,3)23-14-7-8-28(12-14)19-21-10-17(24-25-19)15-6-5-13(9-18(15)29)16-11-22-27(4)26-16;1-19(2,3)21-13-7-8-28(11-13)18-20-10-15(22-24-18)14-6-5-12(9-16(14)29)17-23-26-27(4)25-17/h5-8,11-14,18-19,22,28,33H,9-10,15H2,1-4H3;4-6,9-13,17,26,32H,7-8,14H2,1-3H3;4-6,8-9,11-12,15,25,29H,7,10,13H2,1-3H3;4-5,10-13,16,25,29H,6-9H2,1-3H3,(H,23,24);5-6,9-11,14,23,29H,7-8,12H2,1-4H3;5-6,9-10,13,21,29H,7-8,11H2,1-4H3.

What are the key properties of 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol?

2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol has a molecular weight of 2451.01 g/mol, XLogP of 15.07, 24 rotatable bonds, 13 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(tert-butylamino)piperidin-1-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methyl-3a,7a-dihydroindazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltetrazol-5-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazol-4-yl)phenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-pyrimidin-2-ylphenol;2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazolo[1,5-a]pyridin-5-yl)phenol is sourced from PubChem (CID 158345110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).