tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

C201H167F3N62O31 — CID 158128906

IUPACtert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCN1CCc2c(c3ccc(Nc4ccc([N+](=O)[O-])c(F)c4)nc3n2C)C1=O.CN1CCc2c(c3ccc(Nc4cccc([N+](=O)[O-])c4)nc3n2C)C1=O.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3cc([N+](=O)[O-])ccn3)nc21.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cn3)nc21.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3ccnc([N+](=O)[O-])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cc([N+](=O)[O-])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([N+](=O)[O-])c(F)c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([N+](=O)[O-])cn3)nc21.[C-]#[N+]c1ccc(Nc2ccc3c4c(n(C)c3n2)CCNC4=O)cc1[N+](=O)[O-].[C-]#[N+]c1ccc(Nc2ccc3c4cnccc4n(C)c3n2)cc1[N+](=O)[O-]
InChIInChI=1S/3C21H20N6O4.C18H16FN5O3.C18H14N6O3.C18H12N6O2.C18H17N5O3.2C17H12FN5O2.2C16H12N6O2/c1-21(2,3)31-20(28)26(17-7-5-13(11-23-17)27(29)30)18-8-6-14-15-12-22-10-9-16(15)25(4)19(14)24-18;1-21(2,3)31-20(28)26(18-11-13(27(29)30)7-10-23-18)17-6-5-14-15-12-22-9-8-16(15)25(4)19(14)24-17;1-21(2,3)31-20(28)26(13-7-10-23-18(11-13)27(29)30)17-6-5-14-15-12-22-9-8-16(15)25(4)19(14)24-17;1-22-8-7-14-16(18(22)25)11-4-6-15(21-17(11)23(14)2)20-10-3-5-13(24(26)27)12(19)9-10;1-19-12-5-3-10(9-14(12)24(26)27)21-15-6-4-11-16-13(7-8-20-18(16)25)23(2)17(11)22-15;1-19-14-5-3-11(9-16(14)24(25)26)21-17-6-4-12-13-10-20-8-7-15(13)23(2)18(12)22-17;1-21-9-8-14-16(18(21)24)13-6-7-15(20-17(13)22(14)2)19-11-4-3-5-12(10-11)23(25)26;1-22-14-6-7-19-9-12(14)11-3-5-16(21-17(11)22)20-10-2-4-15(23(24)25)13(18)8-10;1-22-14-6-7-19-9-12(14)11-3-5-16(21-17(11)22)20-10-2-4-13(18)15(8-10)23(24)25;1-21-13-6-7-17-9-12(13)11-3-5-15(20-16(11)21)19-14-4-2-10(8-18-14)22(23)24;1-21-13-5-6-17-9-12(13)11-2-3-14(20-16(11)21)19-15-8-10(22(23)24)4-7-18-15/h3*5-12H,1-4H3;3-6,9H,7-8H2,1-2H3,(H,20,21);3-6,9H,7-8H2,2H3,(H,20,25)(H,21,22);3-10H,2H3,(H,21,22);3-7,10H,8-9H2,1-2H3,(H,19,20);2*2-9H,1H3,(H,20,21);2*2-9H,1H3,(H,18,19,20)
InChIKeyFSNHIFDERFMSRJ-UHFFFAOYSA-N
MW4003.94 g/mol
LogP40.89
Rot. Bonds33

About tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (PubChem CID 158128906) has the molecular formula C201H167F3N62O31 and a molecular weight of 4003.94 g/mol. Its IUPAC name is tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.

Molecular Properties

Compound Nametert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
PubChem CID158128906
Molecular FormulaC201H167F3N62O31
Molecular Weight4003.94 g/mol
Exact Mass4001.33
IUPAC Nametert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCN1CCc2c(c3ccc(Nc4ccc([N+](=O)[O-])c(F)c4)nc3n2C)C1=O.CN1CCc2c(c3ccc(Nc4cccc([N+](=O)[O-])c4)nc3n2C)C1=O.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3cc([N+](=O)[O-])ccn3)nc21.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cn3)nc21.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3ccnc([N+](=O)[O-])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cc([N+](=O)[O-])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([N+](=O)[O-])c(F)c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([N+](=O)[O-])cn3)nc21.[C-]#[N+]c1ccc(Nc2ccc3c4c(n(C)c3n2)CCNC4=O)cc1[N+](=O)[O-].[C-]#[N+]c1ccc(Nc2ccc3c4cnccc4n(C)c3n2)cc1[N+](=O)[O-]
InChIInChI=1S/3C21H20N6O4.C18H16FN5O3.C18H14N6O3.C18H12N6O2.C18H17N5O3.2C17H12FN5O2.2C16H12N6O2/c1-21(2,3)31-20(28)26(17-7-5-13(11-23-17)27(29)30)18-8-6-14-15-12-22-10-9-16(15)25(4)19(14)24-18;1-21(2,3)31-20(28)26(18-11-13(27(29)30)7-10-23-18)17-6-5-14-15-12-22-9-8-16(15)25(4)19(14)24-17;1-21(2,3)31-20(28)26(13-7-10-23-18(11-13)27(29)30)17-6-5-14-15-12-22-9-8-16(15)25(4)19(14)24-17;1-22-8-7-14-16(18(22)25)11-4-6-15(21-17(11)23(14)2)20-10-3-5-13(24(26)27)12(19)9-10;1-19-12-5-3-10(9-14(12)24(26)27)21-15-6-4-11-16-13(7-8-20-18(16)25)23(2)17(11)22-15;1-19-14-5-3-11(9-16(14)24(25)26)21-17-6-4-12-13-10-20-8-7-15(13)23(2)18(12)22-17;1-21-9-8-14-16(18(21)24)13-6-7-15(20-17(13)22(14)2)19-11-4-3-5-12(10-11)23(25)26;1-22-14-6-7-19-9-12(14)11-3-5-16(21-17(11)22)20-10-2-4-15(23(24)25)13(18)8-10;1-22-14-6-7-19-9-12(14)11-3-5-16(21-17(11)22)20-10-2-4-13(18)15(8-10)23(24)25;1-21-13-6-7-17-9-12(13)11-3-5-15(20-16(11)21)19-14-4-2-10(8-18-14)22(23)24;1-21-13-5-6-17-9-12(13)11-2-3-14(20-16(11)21)19-15-8-10(22(23)24)4-7-18-15/h3*5-12H,1-4H3;3-6,9H,7-8H2,1-2H3,(H,20,21);3-6,9H,7-8H2,2H3,(H,20,25)(H,21,22);3-10H,2H3,(H,21,22);3-7,10H,8-9H2,1-2H3,(H,19,20);2*2-9H,1H3,(H,20,21);2*2-9H,1H3,(H,18,19,20)
InChIKeyFSNHIFDERFMSRJ-UHFFFAOYSA-N
XLogP40.89
TPSA1101.43 Ų
H-Bond Donors9
H-Bond Acceptors74
Rotatable Bonds33
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004003.94
LogP ≤ 540.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1074

Analyze tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The IUPAC name of tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (CID 158128906) is tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.
What is the SMILES notation for tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The canonical SMILES for tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is CN1CCc2c(c3ccc(Nc4ccc([N+](=O)[O-])c(F)c4)nc3n2C)C1=O.CN1CCc2c(c3ccc(Nc4cccc([N+](=O)[O-])c4)nc3n2C)C1=O.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3cc([N+](=O)[O-])ccn3)nc21.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cn3)nc21.Cn1c2ccncc2c2ccc(N(C(=O)OC(C)(C)C)c3ccnc([N+](=O)[O-])c3)nc21.Cn1c2ccncc2c2ccc(Nc3cc([N+](=O)[O-])ccn3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([N+](=O)[O-])c(F)c3)nc21.Cn1c2ccncc2c2ccc(Nc3ccc([N+](=O)[O-])cn3)nc21.[C-]#[N+]c1ccc(Nc2ccc3c4c(n(C)c3n2)CCNC4=O)cc1[N+](=O)[O-].[C-]#[N+]c1ccc(Nc2ccc3c4cnccc4n(C)c3n2)cc1[N+](=O)[O-].
What is the InChIKey of tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The InChIKey is FSNHIFDERFMSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H20N6O4.C18H16FN5O3.C18H14N6O3.C18H12N6O2.C18H17N5O3.2C17H12FN5O2.2C16H12N6O2/c1-21(2,3)31-20(28)26(17-7-5-13(11-23-17)27(29)30)18-8-6-14-15-12-22-10-9-16(15)25(4)19(14)24-18;1-21(2,3)31-20(28)26(18-11-13(27(29)30)7-10-23-18)17-6-5-14-15-12-22-9-8-16(15)25(4)19(14)24-17;1-21(2,3)31-20(28)26(13-7-10-23-18(11-13)27(29)30)17-6-5-14-15-12-22-9-8-16(15)25(4)19(14)24-17;1-22-8-7-14-16(18(22)25)11-4-6-15(21-17(11)23(14)2)20-10-3-5-13(24(26)27)12(19)9-10;1-19-12-5-3-10(9-14(12)24(26)27)21-15-6-4-11-16-13(7-8-20-18(16)25)23(2)17(11)22-15;1-19-14-5-3-11(9-16(14)24(25)26)21-17-6-4-12-13-10-20-8-7-15(13)23(2)18(12)22-17;1-21-9-8-14-16(18(21)24)13-6-7-15(20-17(13)22(14)2)19-11-4-3-5-12(10-11)23(25)26;1-22-14-6-7-19-9-12(14)11-3-5-16(21-17(11)22)20-10-2-4-15(23(24)25)13(18)8-10;1-22-14-6-7-19-9-12(14)11-3-5-16(21-17(11)22)20-10-2-4-13(18)15(8-10)23(24)25;1-21-13-6-7-17-9-12(13)11-3-5-15(20-16(11)21)19-14-4-2-10(8-18-14)22(23)24;1-21-13-5-6-17-9-12(13)11-2-3-14(20-16(11)21)19-15-8-10(22(23)24)4-7-18-15/h3*5-12H,1-4H3;3-6,9H,7-8H2,1-2H3,(H,20,21);3-6,9H,7-8H2,2H3,(H,20,25)(H,21,22);3-10H,2H3,(H,21,22);3-7,10H,8-9H2,1-2H3,(H,19,20);2*2-9H,1H3,(H,20,21);2*2-9H,1H3,(H,18,19,20).
What are the key properties of tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine has a molecular weight of 4003.94 g/mol, XLogP of 40.89, 33 rotatable bonds, 9 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(2-nitro-4-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(4-nitro-2-pyridinyl)carbamate;tert-butyl N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-N-(5-nitro-2-pyridinyl)carbamate;4,8-dimethyl-11-(3-nitroanilino)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;11-(3-fluoro-4-nitroanilino)-4,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(3-fluoro-4-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;N-(4-fluoro-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;11-(4-isocyano-3-nitroanilino)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one;N-(4-isocyano-3-nitrophenyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(4-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine;8-methyl-N-(5-nitro-2-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is sourced from PubChem (CID 158128906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).