3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide

C107H146Cl2N42O18S — CID 158355765

About 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide

3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide (PubChem CID 158355765) has the molecular formula C107H146Cl2N42O18S and a molecular weight of 2411.59 g/mol. Its IUPAC name is 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
• PubChem CID: 158355765
• Molecular Formula: C107H146Cl2N42O18S
• Molecular Weight: 2411.59 g/mol
• Exact Mass: 2409.09
• IUPAC Name: 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
• SMILES: CC(C)(O)c1ccc(C(=O)O)cc1.CCOC(=O)c1nnc(Cl)nc1Nc1cnn(C)c1.CCOC(=O)c1nnc(N2CCC[C@@H](CC(=O)OC(C)(C)C)[C@H]2C)nc1Nc1cnn(C)c1.CCOC(=O)c1nnc(SC)nc1Cl.C[C@@H]1[C@H](CC(=O)OC(C)(C)C)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](N)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)O)cc2)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1
• InChI: InChI=1S/C24H31N9O3.C22H33N7O4.C20H30N8O3.C14H21N9O.C10H11ClN6O2.C10H12O3.C7H8ClN3O2S/c1-14-18(28-22(35)15-7-9-16(10-8-15)24(2,3)36)6-5-11-33(14)23-29-21(19(20(25)34)30-31-23)27-17-12-26-32(4)13-17;1-7-32-20(31)18-19(24-16-12-23-28(6)13-16)25-21(27-26-18)29-10-8-9-15(14(29)2)11-17(30)33-22(3,4)5;1-12-13(9-15(29)31-20(2,3)4)7-6-8-28(12)19-24-18(16(17(21)30)25-26-19)23-14-10-22-27(5)11-14;1-8-10(15)4-3-5-23(8)14-19-13(11(12(16)24)20-21-14)18-9-6-17-22(2)7-9;1-3-19-9(18)7-8(14-10(11)16-15-7)13-6-4-12-17(2)5-6;1-10(2,13)8-5-3-7(4-6-8)9(11)12;1-3-13-6(12)4-5(8)9-7(14-2)11-10-4/h7-10,12-14,18,36H,5-6,11H2,1-4H3,(H2,25,34)(H,28,35)(H,27,29,31);12-15H,7-11H2,1-6H3,(H,24,25,27);10-13H,6-9H2,1-5H3,(H2,21,30)(H,23,24,26);6-8,10H,3-5,15H2,1-2H3,(H2,16,24)(H,18,19,21);4-5H,3H2,1-2H3,(H,13,14,16);3-6,13H,1-2H3,(H,11,12);3H2,1-2H3/t14-,18-;14-,15+;12-,13+;8-,10-;;;/m1111.../s1
• InChIKey: GSVYPERCNQLLBV-XJPLFXBKSA-N
• XLogP: 10.09
• TPSA: 787.88 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 56
• Rotatable Bonds: 33
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2411.59
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?

The IUPAC name of 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide (CID 158355765) is 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide is CC(C)(O)c1ccc(C(=O)O)cc1.CCOC(=O)c1nnc(Cl)nc1Nc1cnn(C)c1.CCOC(=O)c1nnc(N2CCC[C@@H](CC(=O)OC(C)(C)C)[C@H]2C)nc1Nc1cnn(C)c1.CCOC(=O)c1nnc(SC)nc1Cl.C[C@@H]1[C@H](CC(=O)OC(C)(C)C)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](N)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)O)cc2)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.

What is the InChIKey of 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?

The InChIKey is GSVYPERCNQLLBV-XJPLFXBKSA-N. The full InChI is InChI=1S/C24H31N9O3.C22H33N7O4.C20H30N8O3.C14H21N9O.C10H11ClN6O2.C10H12O3.C7H8ClN3O2S/c1-14-18(28-22(35)15-7-9-16(10-8-15)24(2,3)36)6-5-11-33(14)23-29-21(19(20(25)34)30-31-23)27-17-12-26-32(4)13-17;1-7-32-20(31)18-19(24-16-12-23-28(6)13-16)25-21(27-26-18)29-10-8-9-15(14(29)2)11-17(30)33-22(3,4)5;1-12-13(9-15(29)31-20(2,3)4)7-6-8-28(12)19-24-18(16(17(21)30)25-26-19)23-14-10-22-27(5)11-14;1-8-10(15)4-3-5-23(8)14-19-13(11(12(16)24)20-21-14)18-9-6-17-22(2)7-9;1-3-19-9(18)7-8(14-10(11)16-15-7)13-6-4-12-17(2)5-6;1-10(2,13)8-5-3-7(4-6-8)9(11)12;1-3-13-6(12)4-5(8)9-7(14-2)11-10-4/h7-10,12-14,18,36H,5-6,11H2,1-4H3,(H2,25,34)(H,28,35)(H,27,29,31);12-15H,7-11H2,1-6H3,(H,24,25,27);10-13H,6-9H2,1-5H3,(H2,21,30)(H,23,24,26);6-8,10H,3-5,15H2,1-2H3,(H2,16,24)(H,18,19,21);4-5H,3H2,1-2H3,(H,13,14,16);3-6,13H,1-2H3,(H,11,12);3H2,1-2H3/t14-,18-;14-,15+;12-,13+;8-,10-;;;/m1111.../s1.

What are the key properties of 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide?

3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 2411.59 g/mol, XLogP of 10.09, 33 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;tert-butyl 2-[(2R,3S)-1-[6-carbamoyl-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-2-methylpiperidin-3-yl]acetate;ethyl 3-chloro-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;ethyl 3-[(2R,3S)-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxylate;4-(2-hydroxypropan-2-yl)benzoic acid;3-[(2R,3R)-3-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 158355765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).