bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride

C181H210Cl6F18N42O38S6 — CID 167704091

About bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride

bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride (PubChem CID 167704091) has the molecular formula C181H210Cl6F18N42O38S6 and a molecular weight of 4329.01 g/mol. Its IUPAC name is bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride.

Molecular Properties

• Compound Name: bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride
• PubChem CID: 167704091
• Molecular Formula: C181H210Cl6F18N42O38S6
• Molecular Weight: 4329.01 g/mol
• Exact Mass: 4323.20
• IUPAC Name: bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride
• SMILES: CCOC(=O)CC1=NCCN(c2ccc(CNC(=O)OCc3ccccc3)cc2)N1.CCOC(=O)CC1=NN(c2ccc(CNC(=O)OCc3ccccc3)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1.Cl.Cl.NCCN(N)c1ccc(CNC(=O)OCc2ccccc2)cc1.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1)OCc1ccccc1.[H]/N=C(/CC(=O)OCC)OCC
• InChI: InChI=1S/C23H24ClF3N6O4S.C23H25F3N4O6S.C22H23ClF3N7O4S.C22H26N4O4.C21H23F3N4O5S.C17H22N4O2.2C13H17F3N4O3S.2C10H9ClN2O2.C7H13NO3.2ClH/c1-2-18-21(31-14-16(24)5-8-19(31)29-18)22(35)28-13-15-3-6-17(7-4-15)32-10-11-33(20(30-32)9-12-34)38(36,37)23(25,26)27;1-2-35-21(31)14-20-28-29(12-13-30(20)37(33,34)23(24,25)26)19-10-8-17(9-11-19)15-27-22(32)36-16-18-6-4-3-5-7-18;1-2-17-19(31-13-15(23)12-28-21(31)29-17)20(35)27-11-14-3-5-16(6-4-14)32-8-9-33(18(30-32)7-10-34)38(36,37)22(24,25)26;1-2-29-21(27)14-20-23-12-13-26(25-20)19-10-8-17(9-11-19)15-24-22(28)30-16-18-6-4-3-5-7-18;22-21(23,24)34(31,32)28-12-11-27(26-19(28)10-13-29)18-8-6-16(7-9-18)14-25-20(30)33-15-17-4-2-1-3-5-17;18-10-11-21(19)16-8-6-14(7-9-16)12-20-17(22)23-13-15-4-2-1-3-5-15;2*14-13(15,16)24(22,23)20-7-6-19(18-12(20)5-8-21)11-3-1-10(9-17)2-4-11;2*1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-3-10-6(8)5-7(9)11-4-2;;/h3-8,14,34H,2,9-13H2,1H3,(H,28,35);3-11H,2,12-16H2,1H3,(H,27,32);3-6,12-13,34H,2,7-11H2,1H3,(H,27,35);3-11H,2,12-16H2,1H3,(H,23,25)(H,24,28);1-9,29H,10-15H2,(H,25,30);1-9H,10-13,18-19H2,(H,20,22);2*1-4,21H,5-9,17H2;2*3-5H,2H2,1H3,(H,14,15);8H,3-5H2,1-2H3;2*1H/b;;;;;;;;;;8-6-
• InChIKey: APMDKDVLVJPOAH-JVDGCMPUSA-N
• XLogP: 24.28
• TPSA: 1034.17 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 66
• Rotatable Bonds: 66
• Heavy Atoms: 291
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4329.01
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride?

The IUPAC name of bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride (CID 167704091) is bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride.

What is the SMILES notation for bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride?

The canonical SMILES for bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride is CCOC(=O)CC1=NCCN(c2ccc(CNC(=O)OCc3ccccc3)cc2)N1.CCOC(=O)CC1=NN(c2ccc(CNC(=O)OCc3ccccc3)cc2)CCN1S(=O)(=O)C(F)(F)F.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1.Cl.Cl.NCCN(N)c1ccc(CNC(=O)OCc2ccccc2)cc1.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCO)=N2)cc1)OCc1ccccc1.[H]/N=C(/CC(=O)OCC)OCC.

What is the InChIKey of bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride?

The InChIKey is APMDKDVLVJPOAH-JVDGCMPUSA-N. The full InChI is InChI=1S/C23H24ClF3N6O4S.C23H25F3N4O6S.C22H23ClF3N7O4S.C22H26N4O4.C21H23F3N4O5S.C17H22N4O2.2C13H17F3N4O3S.2C10H9ClN2O2.C7H13NO3.2ClH/c1-2-18-21(31-14-16(24)5-8-19(31)29-18)22(35)28-13-15-3-6-17(7-4-15)32-10-11-33(20(30-32)9-12-34)38(36,37)23(25,26)27;1-2-35-21(31)14-20-28-29(12-13-30(20)37(33,34)23(24,25)26)19-10-8-17(9-11-19)15-27-22(32)36-16-18-6-4-3-5-7-18;1-2-17-19(31-13-15(23)12-28-21(31)29-17)20(35)27-11-14-3-5-16(6-4-14)32-8-9-33(18(30-32)7-10-34)38(36,37)22(24,25)26;1-2-29-21(27)14-20-23-12-13-26(25-20)19-10-8-17(9-11-19)15-24-22(28)30-16-18-6-4-3-5-7-18;22-21(23,24)34(31,32)28-12-11-27(26-19(28)10-13-29)18-8-6-16(7-9-18)14-25-20(30)33-15-17-4-2-1-3-5-17;18-10-11-21(19)16-8-6-14(7-9-16)12-20-17(22)23-13-15-4-2-1-3-5-15;2*14-13(15,16)24(22,23)20-7-6-19(18-12(20)5-8-21)11-3-1-10(9-17)2-4-11;2*1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-3-10-6(8)5-7(9)11-4-2;;/h3-8,14,34H,2,9-13H2,1H3,(H,28,35);3-11H,2,12-16H2,1H3,(H,27,32);3-6,12-13,34H,2,7-11H2,1H3,(H,27,35);3-11H,2,12-16H2,1H3,(H,23,25)(H,24,28);1-9,29H,10-15H2,(H,25,30);1-9H,10-13,18-19H2,(H,20,22);2*1-4,21H,5-9,17H2;2*3-5H,2H2,1H3,(H,14,15);8H,3-5H2,1-2H3;2*1H/b;;;;;;;;;;8-6-;;.

What are the key properties of bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride?

bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride has a molecular weight of 4329.01 g/mol, XLogP of 24.28, 66 rotatable bonds, 19 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[1-[4-(aminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]ethanol);benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;bis(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid);ethyl 3-ethoxy-3-iminopropanoate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-5,6-dihydro-2H-1,2,4-triazin-3-yl]acetate;ethyl 2-[1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-3-yl]acetate;dihydrochloride is sourced from PubChem (CID 167704091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).