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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide

C99H140ClN47O14S3 — CID 162008485

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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide (PubChem CID 162008485) has the molecular formula C99H140ClN47O14S3 and a molecular weight of 2344.18 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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide
• PubChem CID: 162008485
• Molecular Formula: C99H140ClN47O14S3
• Molecular Weight: 2344.18 g/mol
• Exact Mass: 2342.05
• 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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide
• SMILES: CCOC(=O)c1nnc(SC)nc1Cl.CSc1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.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(C3CC3)cc2)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@H]1NCCC[C@H]1CC(=O)OC(C)(C)C.Cn1cc(N)cn1.Cn1cc(Nc2nc(S(C)(=O)=O)nnc2C(N)=O)cn1
• InChI: InChI=1S/C24H29N9O2.C20H30N8O3.C14H21N9O.C12H23NO2.C9H11N7O3S.C9H11N7OS.C7H8ClN3O2S.C4H7N3/c1-14-19(28-23(35)17-9-7-16(8-10-17)15-5-6-15)4-3-11-33(14)24-29-22(20(21(25)34)30-31-24)27-18-12-26-32(2)13-18;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;1-9-10(6-5-7-13-9)8-11(14)15-12(2,3)4;1-16-4-5(3-11-16)12-8-6(7(10)17)14-15-9(13-8)20(2,18)19;1-16-4-5(3-11-16)12-8-6(7(10)17)14-15-9(13-8)18-2;1-3-13-6(12)4-5(8)9-7(14-2)11-10-4;1-7-3-4(5)2-6-7/h7-10,12-15,19H,3-6,11H2,1-2H3,(H2,25,34)(H,28,35)(H,27,29,31);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);9-10,13H,5-8H2,1-4H3;3-4H,1-2H3,(H2,10,17)(H,12,13,15);3-4H,1-2H3,(H2,10,17)(H,12,13,15);3H2,1-2H3;2-3H,5H2,1H3/t14-,19-;12-,13+;8-,10-;9-,10+;;;;/m1111..../s1
• InChIKey: YTDQQCWVBMLJJU-BKHJSKABSA-N
• XLogP: 6.21
• TPSA: 830.47 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 57
• Rotatable Bonds: 30
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.18
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	57

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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide (CID 162008485) 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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide is CCOC(=O)c1nnc(SC)nc1Cl.CSc1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.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(C3CC3)cc2)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@H]1NCCC[C@H]1CC(=O)OC(C)(C)C.Cn1cc(N)cn1.Cn1cc(Nc2nc(S(C)(=O)=O)nnc2C(N)=O)cn1.

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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide?

The InChIKey is YTDQQCWVBMLJJU-BKHJSKABSA-N. The full InChI is InChI=1S/C24H29N9O2.C20H30N8O3.C14H21N9O.C12H23NO2.C9H11N7O3S.C9H11N7OS.C7H8ClN3O2S.C4H7N3/c1-14-19(28-23(35)17-9-7-16(8-10-17)15-5-6-15)4-3-11-33(14)24-29-22(20(21(25)34)30-31-24)27-18-12-26-32(2)13-18;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;1-9-10(6-5-7-13-9)8-11(14)15-12(2,3)4;1-16-4-5(3-11-16)12-8-6(7(10)17)14-15-9(13-8)20(2,18)19;1-16-4-5(3-11-16)12-8-6(7(10)17)14-15-9(13-8)18-2;1-3-13-6(12)4-5(8)9-7(14-2)11-10-4;1-7-3-4(5)2-6-7/h7-10,12-15,19H,3-6,11H2,1-2H3,(H2,25,34)(H,28,35)(H,27,29,31);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);9-10,13H,5-8H2,1-4H3;3-4H,1-2H3,(H2,10,17)(H,12,13,15);3-4H,1-2H3,(H2,10,17)(H,12,13,15);3H2,1-2H3;2-3H,5H2,1H3/t14-,19-;12-,13+;8-,10-;9-,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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide has a molecular weight of 2344.18 g/mol, XLogP of 6.21, 30 rotatable bonds, 14 hydrogen bond donors, and 57 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;tert-butyl 2-[(2R,3S)-2-methylpiperidin-3-yl]acetate;3-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-5-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-6-carboxamide;ethyl 5-chloro-3-methylsulfanyl-1,2,4-triazine-6-carboxylate;1-methylpyrazol-4-amine;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide;5-[(1-methylpyrazol-4-yl)amino]-3-methylsulfonyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 162008485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).