benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride

C142H172Cl3F12N33O25S4 — CID 167592439

IUPACbenzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride
SMILESC.C.CC1CCCO1.CC1CCCO1.CCc1nc2ncc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.COC(OC)OC.Cc1ccn2nc(C)c(C(=O)CCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)cc3)c2c1.Cc1cnc2nc(C)c(C(=O)O)n2c1.Cl.NCCN(N)c1ccc(CNC(=O)OCc2ccccc2)cc1.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1)OCc1ccccc1.O=C(NCc1ccc(N2CCN=CN2)cc1)OCc1ccccc1
InChIInChI=1S/C22H22F3N5O3S.C21H20ClF3N6O3S.C19H19F3N4O4S.C18H20N4O2.C17H22N4O2.C11H13F3N4O2S.C9H8ClN3O2.C9H9N3O2.2C5H10O.C4H10O3.2CH4.ClH/c1-15-9-10-30-19(13-15)21(16(2)27-30)20(31)8-5-17-3-6-18(7-4-17)29-12-11-28(14-26-29)34(32,33)22(23,24)25;1-2-17-19(30-12-15(22)11-26-20(30)28-17)18(32)8-5-14-3-6-16(7-4-14)31-10-9-29(13-27-31)35(33,34)21(23,24)25;20-19(21,22)31(28,29)25-10-11-26(24-14-25)17-8-6-15(7-9-17)12-23-18(27)30-13-16-4-2-1-3-5-16;23-18(24-13-16-4-2-1-3-5-16)20-12-15-6-8-17(9-7-15)22-11-10-19-14-21-22;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;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;1-5-3-10-9-11-6(2)7(8(13)14)12(9)4-5;2*1-5-3-2-4-6-5;1-5-4(6-2)7-3;;;/h3-4,6-7,9-10,13-14H,5,8,11-12H2,1-2H3;3-4,6-7,11-13H,2,5,8-10H2,1H3;1-9,14H,10-13H2,(H,23,27);1-9,14H,10-13H2,(H,19,21)(H,20,23);1-9H,10-13,18-19H2,(H,20,22);1-4,8H,5-7,15H2;3-4H,2H2,1H3,(H,14,15);3-4H,1-2H3,(H,13,14);2*5H,2-4H2,1H3;4H,1-3H3;2*1H4;1H
InChIKeyDMGQODKHBWZLIL-UHFFFAOYSA-N
MW3203.75 g/mol
LogP22.62
Rot. Bonds40

About benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride

benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride (PubChem CID 167592439) has the molecular formula C142H172Cl3F12N33O25S4 and a molecular weight of 3203.75 g/mol. Its IUPAC name is benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride
PubChem CID167592439
Molecular FormulaC142H172Cl3F12N33O25S4
Molecular Weight3203.75 g/mol
Exact Mass3200.10
IUPAC Namebenzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride
SMILESC.C.CC1CCCO1.CC1CCCO1.CCc1nc2ncc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.COC(OC)OC.Cc1ccn2nc(C)c(C(=O)CCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)cc3)c2c1.Cc1cnc2nc(C)c(C(=O)O)n2c1.Cl.NCCN(N)c1ccc(CNC(=O)OCc2ccccc2)cc1.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1)OCc1ccccc1.O=C(NCc1ccc(N2CCN=CN2)cc1)OCc1ccccc1
InChIInChI=1S/C22H22F3N5O3S.C21H20ClF3N6O3S.C19H19F3N4O4S.C18H20N4O2.C17H22N4O2.C11H13F3N4O2S.C9H8ClN3O2.C9H9N3O2.2C5H10O.C4H10O3.2CH4.ClH/c1-15-9-10-30-19(13-15)21(16(2)27-30)20(31)8-5-17-3-6-18(7-4-17)29-12-11-28(14-26-29)34(32,33)22(23,24)25;1-2-17-19(30-12-15(22)11-26-20(30)28-17)18(32)8-5-14-3-6-16(7-4-14)31-10-9-29(13-27-31)35(33,34)21(23,24)25;20-19(21,22)31(28,29)25-10-11-26(24-14-25)17-8-6-15(7-9-17)12-23-18(27)30-13-16-4-2-1-3-5-16;23-18(24-13-16-4-2-1-3-5-16)20-12-15-6-8-17(9-7-15)22-11-10-19-14-21-22;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;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;1-5-3-10-9-11-6(2)7(8(13)14)12(9)4-5;2*1-5-3-2-4-6-5;1-5-4(6-2)7-3;;;/h3-4,6-7,9-10,13-14H,5,8,11-12H2,1-2H3;3-4,6-7,11-13H,2,5,8-10H2,1H3;1-9,14H,10-13H2,(H,23,27);1-9,14H,10-13H2,(H,19,21)(H,20,23);1-9H,10-13,18-19H2,(H,20,22);1-4,8H,5-7,15H2;3-4H,2H2,1H3,(H,14,15);3-4H,1-2H3,(H,13,14);2*5H,2-4H2,1H3;4H,1-3H3;2*1H4;1H
InChIKeyDMGQODKHBWZLIL-UHFFFAOYSA-N
XLogP22.62
TPSA698.60 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds40
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003203.75
LogP ≤ 522.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride?
The IUPAC name of benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride (CID 167592439) is benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride.
What is the SMILES notation for benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride?
The canonical SMILES for benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride is C.C.CC1CCCO1.CC1CCCO1.CCc1nc2ncc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.COC(OC)OC.Cc1ccn2nc(C)c(C(=O)CCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)cc3)c2c1.Cc1cnc2nc(C)c(C(=O)O)n2c1.Cl.NCCN(N)c1ccc(CNC(=O)OCc2ccccc2)cc1.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.O=C(NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1)OCc1ccccc1.O=C(NCc1ccc(N2CCN=CN2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride?
The InChIKey is DMGQODKHBWZLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3S.C21H20ClF3N6O3S.C19H19F3N4O4S.C18H20N4O2.C17H22N4O2.C11H13F3N4O2S.C9H8ClN3O2.C9H9N3O2.2C5H10O.C4H10O3.2CH4.ClH/c1-15-9-10-30-19(13-15)21(16(2)27-30)20(31)8-5-17-3-6-18(7-4-17)29-12-11-28(14-26-29)34(32,33)22(23,24)25;1-2-17-19(30-12-15(22)11-26-20(30)28-17)18(32)8-5-14-3-6-16(7-4-14)31-10-9-29(13-27-31)35(33,34)21(23,24)25;20-19(21,22)31(28,29)25-10-11-26(24-14-25)17-8-6-15(7-9-17)12-23-18(27)30-13-16-4-2-1-3-5-16;23-18(24-13-16-4-2-1-3-5-16)20-12-15-6-8-17(9-7-15)22-11-10-19-14-21-22;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;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;1-5-3-10-9-11-6(2)7(8(13)14)12(9)4-5;2*1-5-3-2-4-6-5;1-5-4(6-2)7-3;;;/h3-4,6-7,9-10,13-14H,5,8,11-12H2,1-2H3;3-4,6-7,11-13H,2,5,8-10H2,1H3;1-9,14H,10-13H2,(H,23,27);1-9,14H,10-13H2,(H,19,21)(H,20,23);1-9H,10-13,18-19H2,(H,20,22);1-4,8H,5-7,15H2;3-4H,2H2,1H3,(H,14,15);3-4H,1-2H3,(H,13,14);2*5H,2-4H2,1H3;4H,1-3H3;2*1H4;1H.
What are the key properties of benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride?
benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride has a molecular weight of 3203.75 g/mol, XLogP of 22.62, 40 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-[amino(2-aminoethyl)amino]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]carbamate;benzyl N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;2,6-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;bis(2-methyloxolane);[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;trimethoxymethane;hydrochloride is sourced from PubChem (CID 167592439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).