About lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate
lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate (PubChem CID 157367813) has the molecular formula C166H193BF3I4LiN42O33
and a molecular weight of 3886.99 g/mol. Its IUPAC name is lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate.
Frequently Asked Questions
What is the IUPAC name of lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate?
The IUPAC name of lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate (CID 157367813) is lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate.
What is the SMILES notation for lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate?
The canonical SMILES for lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate is C.CC1CC(N=[N+]=[N-])C1.CC1CC(NC(=O)C(F)(F)F)C1.CC1CC(NC(=O)OC(C)(C)C)C1.CC1CC(O)C1.CN(C)C=Nc1cccc(C(=O)/N=C/N(C)C)n1.COC(=O)C1CC(n2cnnc2-c2cccc(N)n2)C1.COC(=O)c1cc(I)ccc1O.COC(=O)c1cc(I)ccc1OCC1CC(n2cnnc2-c2cccc(N)n2)C1.Cc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2C2CC(CO3)C2)cn1.Cc1ccc(B(O)O)cn1.Nc1cccc(-c2nncn2C2CC(CO)C2)n1.Nc1cccc(-c2nncn2C2CC(COc3ccc(I)cc3C(=O)O)C2)n1.O.O=C1Nc2cccc(n2)-c2nncn2C2CC(COc3ccc(I)cc31)C2.O=C=O.O=C=O.O=C=O.O=C=O.[Li+].[OH-].
What is the InChIKey of lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate?
The InChIKey is WQIFQIQWWJTVQB-UBUVRXHDSA-M. The full InChI is InChI=1S/C25H22N6O2.C20H20IN5O3.C19H18IN5O3.C19H16IN5O2.C13H15N5O2.C12H15N5O.C12H17N5O.C10H19NO2.C8H7IO3.C7H10F3NO.C6H8BNO2.C5H9N3.C5H10O.4CO2.CH4.Li.2H2O/c1-15-5-6-18(12-26-15)17-7-8-22-20(11-17)25(32)29-23-4-2-3-21(28-23)24-30-27-14-31(24)19-9-16(10-19)13-33-22;1-28-20(27)15-9-13(21)5-6-17(15)29-10-12-7-14(8-12)26-11-23-25-19(26)16-3-2-4-18(22)24-16;20-12-4-5-16(14(8-12)19(26)27)28-9-11-6-13(7-11)25-10-22-24-18(25)15-2-1-3-17(21)23-15;20-12-4-5-16-14(8-12)19(26)23-17-3-1-2-15(22-17)18-24-21-10-25(18)13-6-11(7-13)9-27-16;1-20-13(19)8-5-9(6-8)18-7-15-17-12(18)10-3-2-4-11(14)16-10;13-11-3-1-2-10(15-11)12-16-14-7-17(12)9-4-8(5-9)6-18;1-16(2)8-13-11-7-5-6-10(15-11)12(18)14-9-17(3)4;1-7-5-8(6-7)11-9(12)13-10(2,3)4;1-12-8(11)6-4-5(9)2-3-7(6)10;1-4-2-5(3-4)11-6(12)7(8,9)10;1-5-2-3-6(4-8-5)7(9)10;1-4-2-5(3-4)7-8-6;1-4-2-5(6)3-4;4*2-1-3;;;;/h2-8,11-12,14,16,19H,9-10,13H2,1H3,(H,28,29,32);2-6,9,11-12,14H,7-8,10H2,1H3,(H2,22,24);1-5,8,10-11,13H,6-7,9H2,(H2,21,23)(H,26,27);1-5,8,10-11,13H,6-7,9H2,(H,22,23,26);2-4,7-9H,5-6H2,1H3,(H2,14,16);1-3,7-9,18H,4-6H2,(H2,13,15);5-9H,1-4H3;7-8H,5-6H2,1-4H3,(H,11,12);2-4,10H,1H3;4-5H,2-3H2,1H3,(H,11,12);2-4,9-10H,1H3;4-5H,2-3H2,1H3;4-6H,2-3H2,1H3;;;;;1H4;;2*1H2/q;;;;;;;;;;;;;;;;;;+1;;/p-1/b;;;;;;13-8?,14-9+;;;;;;;;;;;;;;.
What are the key properties of lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate?
lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate has a molecular weight of 3886.99 g/mol, XLogP of 19.19, 28 rotatable bonds, 14 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methanol;2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoic acid;1-azido-3-methylcyclobutane;tert-butyl N-(3-methylcyclobutyl)carbamate;tetrakis(carbon dioxide);N-(dimethylaminomethylidene)-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;15-iodo-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutane-1-carboxylate;methyl 2-[[3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]cyclobutyl]methoxy]-5-iodobenzoate;3-methylcyclobutan-1-ol;methyl 2-hydroxy-5-iodobenzoate;(6-methyl-3-pyridinyl)boronic acid;15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazapentacyclo[18.3.1.17,9.02,6.012,17]pentacosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide;hydroxide;hydrate is sourced from PubChem (CID 157367813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).