2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol

C119H143N43O7 — CID 157112489

About 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol

2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol (PubChem CID 157112489) has the molecular formula C119H143N43O7 and a molecular weight of 2287.75 g/mol. Its IUPAC name is 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol.

Molecular Properties

• Compound Name: 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol
• PubChem CID: 157112489
• Molecular Formula: C119H143N43O7
• Molecular Weight: 2287.75 g/mol
• Exact Mass: 2286.22
• IUPAC Name: 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol
• SMILES: CCC1CC(Oc2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(CC)N1.CN(c1ncc(-c2ccc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN1CC[C@@H]2CN(c3ncc(-c4ccc(-c5cn[nH]c5)cc4O)nn3)C[C@@H]21.Cc1nnn(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)n1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CC3(CCC3)C2)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCN3CCC[C@H]3C2)nn1
• InChI: InChI=1S/C21H29N9O.C21H28N8O.C21H26N6O2.2C19H21N7O.C18H18N6O/c1-13-23-28-30(26-13)14-7-8-16(18(31)9-14)17-12-22-19(25-24-17)29(6)15-10-20(2,3)27-21(4,5)11-15;1-20(2)11-15(12-21(3,4)27-20)28(5)19-22-13-17(25-26-19)16-7-6-14(10-18(16)30)29-23-8-9-24-29;1-3-15-8-17(9-16(4-2)25-15)29-21-22-12-19(26-27-21)18-6-5-13(7-20(18)28)14-10-23-24-11-14;1-25-5-4-13-10-26(11-17(13)25)19-20-9-16(23-24-19)15-3-2-12(6-18(15)27)14-7-21-22-8-14;27-18-8-13(14-9-21-22-10-14)3-4-16(18)17-11-20-19(24-23-17)26-7-6-25-5-1-2-15(25)12-26;25-16-6-12(13-7-20-21-8-13)2-3-14(16)15-9-19-17(23-22-15)24-10-18(11-24)4-1-5-18/h7-9,12,15,27,31H,10-11H2,1-6H3;6-10,13,15,27,30H,11-12H2,1-5H3;5-7,10-12,15-17,25,28H,3-4,8-9H2,1-2H3,(H,23,24);2-3,6-9,13,17,27H,4-5,10-11H2,1H3,(H,21,22);3-4,8-11,15,27H,1-2,5-7,12H2,(H,21,22);2-3,6-9,25H,1,4-5,10-11H2,(H,20,21)/t;;;13-,17+;15-;/m...10./s1
• InChIKey: AHAASQJDDACXCZ-SAMRONTJSA-N
• XLogP: 14.48
• TPSA: 610.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 46
• Rotatable Bonds: 23
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2287.75
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol?

The IUPAC name of 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol (CID 157112489) is 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol.

What is the SMILES notation for 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol?

The canonical SMILES for 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol is CCC1CC(Oc2ncc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(CC)N1.CN(c1ncc(-c2ccc(-n3nccn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN1CC[C@@H]2CN(c3ncc(-c4ccc(-c5cn[nH]c5)cc4O)nn3)C[C@@H]21.Cc1nnn(-c2ccc(-c3cnc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)n1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CC3(CCC3)C2)nn1.Oc1cc(-c2cn[nH]c2)ccc1-c1cnc(N2CCN3CCC[C@H]3C2)nn1.

What is the InChIKey of 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol?

The InChIKey is AHAASQJDDACXCZ-SAMRONTJSA-N. The full InChI is InChI=1S/C21H29N9O.C21H28N8O.C21H26N6O2.2C19H21N7O.C18H18N6O/c1-13-23-28-30(26-13)14-7-8-16(18(31)9-14)17-12-22-19(25-24-17)29(6)15-10-20(2,3)27-21(4,5)11-15;1-20(2)11-15(12-21(3,4)27-20)28(5)19-22-13-17(25-26-19)16-7-6-14(10-18(16)30)29-23-8-9-24-29;1-3-15-8-17(9-16(4-2)25-15)29-21-22-12-19(26-27-21)18-6-5-13(7-20(18)28)14-10-23-24-11-14;1-25-5-4-13-10-26(11-17(13)25)19-20-9-16(23-24-19)15-3-2-12(6-18(15)27)14-7-21-22-8-14;27-18-8-13(14-9-21-22-10-14)3-4-16(18)17-11-20-19(24-23-17)26-7-6-25-5-1-2-15(25)12-26;25-16-6-12(13-7-20-21-8-13)2-3-14(16)15-9-19-17(23-22-15)24-10-18(11-24)4-1-5-18/h7-9,12,15,27,31H,10-11H2,1-6H3;6-10,13,15,27,30H,11-12H2,1-5H3;5-7,10-12,15-17,25,28H,3-4,8-9H2,1-2H3,(H,23,24);2-3,6-9,13,17,27H,4-5,10-11H2,1H3,(H,21,22);3-4,8-11,15,27H,1-2,5-7,12H2,(H,21,22);2-3,6-9,25H,1,4-5,10-11H2,(H,20,21)/t;;;13-,17+;15-;/m...10./s1.

What are the key properties of 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol?

2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol has a molecular weight of 2287.75 g/mol, XLogP of 14.48, 23 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2-azaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-(2,6-diethylpiperidin-4-yl)oxy-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(5-methyltetrazol-2-yl)phenol;2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol is sourced from PubChem (CID 157112489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).