C140H210N54O10 — CID 172934608
(6Z)-1-amino-6-hydrazinylidene-5-[(2-methylcyclohexyl)amino]pyridazine-4-carboxamide;(6Z)-1-amino-6-hydrazinylidene-5-[(2-methylcyclohexyl)amino]pyridazine-4-carboximidamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[[1-[3-(cyanomethyl)oxetan-3-yl]-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-[3-(cyanomethyl)oxetan-3-yl]-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;methane (PubChem CID 172934608) has the molecular formula C140H210N54O10 and a molecular weight of 2809.59 g/mol. Its IUPAC name is (6Z)-1-amino-6-hydrazinylidene-5-[(2-methylcyclohexyl)amino]pyridazine-4-carboxamide;(6Z)-1-amino-6-hydrazinylidene-5-[(2-methylcyclohexyl)amino]pyridazine-4-carboximidamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[[1-[3-(cyanomethyl)oxetan-3-yl]-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-[3-(cyanomethyl)oxetan-3-yl]-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;methane.
| Compound Name | (6Z)-1-amino-6-hydrazinylidene-5-[(2-methylcyclohexyl)amino]pyridazine-4-carboxamide;(6Z)-1-amino-6-hydrazinylidene-5-[(2-methylcyclohexyl)amino]pyridazine-4-carboximidamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[[1-[3-(cyanomethyl)oxetan-3-yl]-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-[3-(cyanomethyl)oxetan-3-yl]-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;methane |
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| PubChem CID | 172934608 |
| Molecular Formula | C140H210N54O10 |
| Molecular Weight | 2809.59 g/mol |
| Exact Mass | 2807.76 |
| IUPAC Name | (6Z)-1-amino-6-hydrazinylidene-5-[(2-methylcyclohexyl)amino]pyridazine-4-carboxamide;(6Z)-1-amino-6-hydrazinylidene-5-[(2-methylcyclohexyl)amino]pyridazine-4-carboximidamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[[1-[3-(cyanomethyl)oxetan-3-yl]-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[1-[3-(cyanomethyl)oxetan-3-yl]-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;methane |
| SMILES | C.C.C.C.C.C.C.C.CC1CCCCC1Nc1c(C(N)=O)cnn(N)/c1=N\N.CC1CCN(C(=O)CC#N)CC1N(C)c1c(C(N)=O)cnn2cccc12.CC1CCN(C(=O)CC#N)CC1Nc1c(C(N)=O)cnn2cccc12.CC1CCN(C2(CC#N)COC2)CC1Nc1c(C(N)=O)cnn2cccc12.[H]/N=C(\N)c1cnn(N)/c(=N\N)c1NC1CCCCC1C.[H]/N=C(\N)c1cnn2cccc2c1N(C)C1CN(C(=O)CC#N)CCC1C.[H]/N=C(\N)c1cnn2cccc2c1NC1CN(C(=O)CC#N)CCC1C.[H]/N=C(\N)c1cnn2cccc2c1NC1CN(C2(CC#N)COC2)CCC1C |
| InChI | InChI=1S/C19H25N7O.C19H24N6O2.C18H23N7O.C18H22N6O2.C17H21N7O.C17H20N6O2.C12H22N8.C12H21N7O.8CH4/c1-13-4-8-25(19(5-6-20)11-27-12-19)10-15(13)24-17-14(18(21)22)9-23-26-7-2-3-16(17)26;1-13-4-8-24(19(5-6-20)11-27-12-19)10-15(13)23-17-14(18(21)26)9-22-25-7-2-3-16(17)25;1-12-6-9-24(16(26)5-7-19)11-15(12)23(2)17-13(18(20)21)10-22-25-8-3-4-14(17)25;1-12-6-9-23(16(25)5-7-19)11-15(12)22(2)17-13(18(20)26)10-21-24-8-3-4-14(17)24;1-11-5-8-23(15(25)4-6-18)10-13(11)22-16-12(17(19)20)9-21-24-7-2-3-14(16)24;1-11-5-8-22(15(24)4-6-18)10-13(11)21-16-12(17(19)25)9-20-23-7-2-3-14(16)23;1-7-4-2-3-5-9(7)18-10-8(11(13)14)6-17-20(16)12(10)19-15;1-7-4-2-3-5-9(7)17-10-8(11(13)20)6-16-19(15)12(10)18-14;;;;;;;;/h2-3,7,9,13,15,24H,4-5,8,10-12H2,1H3,(H3,21,22);2-3,7,9,13,15,23H,4-5,8,10-12H2,1H3,(H2,21,26);3-4,8,10,12,15H,5-6,9,11H2,1-2H3,(H3,20,21);3-4,8,10,12,15H,5-6,9,11H2,1-2H3,(H2,20,26);2-3,7,9,11,13,22H,4-5,8,10H2,1H3,(H3,19,20);2-3,7,9,11,13,21H,4-5,8,10H2,1H3,(H2,19,25);6-7,9,18H,2-5,15-16H2,1H3,(H3,13,14);6-7,9,17H,2-5,14-15H2,1H3,(H2,13,20);8*1H4/b;;;;;;19-12-;18-12-;;;;;;;; |
| InChIKey | FRGSJIKSDRGGRK-PWJBDAMHSA-N |
| XLogP | 11.26 |
| TPSA | 967.66 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2809.59 |
| LogP ≤ 5 | 11.26 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 52 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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