3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine

C142H208N94O4S4 — CID 158988715

IUPAC3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(N(C)Cc2ccc[nH]2)n1.CN(C)c1n[nH]c(NCc2ccc[nH]2)n1.CN(C)c1nnc(NCc2ccc[nH]2)n1C.CN(Cc1ccc[nH]1)c1n[nH]c(N)n1.CN(Cc1ccc[nH]1)c1nnc(N)n1C.CN(Cc1ccco1)c1n[nH]c(N)n1.CNc1n[nH]c(NCc2ccc[nH]2)n1.CNc1n[nH]c(NCc2ccco2)n1.CNc1nc(N(C)Cc2ccc[nH]2)n[nH]1.Cc1cc(Nc2nc(N(C)C)n[nH]2)cs1.Cc1cscc1N(C)c1n[nH]c(N)n1.Cc1cscc1Nc1n[nH]c(N)n1.Cc1cscc1Nc1nc(N(C)C)n[nH]1.Cn1c(N)nnc1NCc1ccc[nH]1.Cn1c(N)nnc1NCc1ccco1.Nc1nc(NCc2ccc[nH]2)n[nH]1.Nc1nc(NCc2ccco2)n[nH]1
InChIInChI=1S/2C10H16N6.3C9H14N6.2C9H13N5S.3C8H12N6.3C8H11N5O.C8H11N5S.C7H10N6.C7H9N5O.C7H9N5S/c1-15(2)9-12-10(14-13-9)16(3)7-8-5-4-6-11-8;1-15(2)10-14-13-9(16(10)3)12-7-8-5-4-6-11-8;1-14(6-7-4-3-5-11-7)9-13-12-8(10)15(9)2;1-15(2)9-12-8(13-14-9)11-6-7-4-3-5-10-7;1-10-8-12-9(14-13-8)15(2)6-7-4-3-5-11-7;1-6-4-15-5-7(6)10-8-11-9(13-12-8)14(2)3;1-6-4-7(5-15-6)10-8-11-9(13-12-8)14(2)3;1-14(5-6-3-2-4-10-6)8-11-7(9)12-13-8;1-14-7(9)12-13-8(14)11-5-6-3-2-4-10-6;1-9-7-12-8(14-13-7)11-5-6-3-2-4-10-6;1-13(5-6-3-2-4-14-6)8-10-7(9)11-12-8;1-13-7(9)11-12-8(13)10-5-6-3-2-4-14-6;1-9-7-11-8(13-12-7)10-5-6-3-2-4-14-6;1-5-3-14-4-6(5)13(2)8-10-7(9)11-12-8;8-6-11-7(13-12-6)10-4-5-2-1-3-9-5;8-6-10-7(12-11-6)9-4-5-2-1-3-13-5;1-4-2-13-3-5(4)9-7-10-6(8)11-12-7/h4-6,11H,7H2,1-3H3,(H,12,13,14);4-6,11H,7H2,1-3H3,(H,12,13);3-5,11H,6H2,1-2H3,(H2,10,12);3-5,10H,6H2,1-2H3,(H2,11,12,13,14);3-5,11H,6H2,1-2H3,(H2,10,12,13,14);2*4-5H,1-3H3,(H2,10,11,12,13);2-4,10H,5H2,1H3,(H3,9,11,12,13);2-4,10H,5H2,1H3,(H2,9,12)(H,11,13);2-4,10H,5H2,1H3,(H3,9,11,12,13,14);2-4H,5H2,1H3,(H3,9,10,11,12);2-4H,5H2,1H3,(H2,9,11)(H,10,12);2-4H,5H2,1H3,(H3,9,10,11,12,13);3-4H,1-2H3,(H3,9,10,11,12);1-3,9H,4H2,(H4,8,10,11,12,13);1-3H,4H2,(H4,8,9,10,11,12);2-3H,1H3,(H4,8,9,10,11,12)
InChIKeyJPWYATVMGHCATL-UHFFFAOYSA-N
MW3424.15 g/mol
LogP15.30
Rot. Bonds55

About 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine

3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 158988715) has the molecular formula C142H208N94O4S4 and a molecular weight of 3424.15 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID158988715
Molecular FormulaC142H208N94O4S4
Molecular Weight3424.15 g/mol
Exact Mass3421.78
IUPAC Name3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(N(C)Cc2ccc[nH]2)n1.CN(C)c1n[nH]c(NCc2ccc[nH]2)n1.CN(C)c1nnc(NCc2ccc[nH]2)n1C.CN(Cc1ccc[nH]1)c1n[nH]c(N)n1.CN(Cc1ccc[nH]1)c1nnc(N)n1C.CN(Cc1ccco1)c1n[nH]c(N)n1.CNc1n[nH]c(NCc2ccc[nH]2)n1.CNc1n[nH]c(NCc2ccco2)n1.CNc1nc(N(C)Cc2ccc[nH]2)n[nH]1.Cc1cc(Nc2nc(N(C)C)n[nH]2)cs1.Cc1cscc1N(C)c1n[nH]c(N)n1.Cc1cscc1Nc1n[nH]c(N)n1.Cc1cscc1Nc1nc(N(C)C)n[nH]1.Cn1c(N)nnc1NCc1ccc[nH]1.Cn1c(N)nnc1NCc1ccco1.Nc1nc(NCc2ccc[nH]2)n[nH]1.Nc1nc(NCc2ccco2)n[nH]1
InChIInChI=1S/2C10H16N6.3C9H14N6.2C9H13N5S.3C8H12N6.3C8H11N5O.C8H11N5S.C7H10N6.C7H9N5O.C7H9N5S/c1-15(2)9-12-10(14-13-9)16(3)7-8-5-4-6-11-8;1-15(2)10-14-13-9(16(10)3)12-7-8-5-4-6-11-8;1-14(6-7-4-3-5-11-7)9-13-12-8(10)15(9)2;1-15(2)9-12-8(13-14-9)11-6-7-4-3-5-10-7;1-10-8-12-9(14-13-8)15(2)6-7-4-3-5-11-7;1-6-4-15-5-7(6)10-8-11-9(13-12-8)14(2)3;1-6-4-7(5-15-6)10-8-11-9(13-12-8)14(2)3;1-14(5-6-3-2-4-10-6)8-11-7(9)12-13-8;1-14-7(9)12-13-8(14)11-5-6-3-2-4-10-6;1-9-7-12-8(14-13-7)11-5-6-3-2-4-10-6;1-13(5-6-3-2-4-14-6)8-10-7(9)11-12-8;1-13-7(9)11-12-8(13)10-5-6-3-2-4-14-6;1-9-7-11-8(13-12-7)10-5-6-3-2-4-14-6;1-5-3-14-4-6(5)13(2)8-10-7(9)11-12-8;8-6-11-7(13-12-6)10-4-5-2-1-3-9-5;8-6-10-7(12-11-6)9-4-5-2-1-3-13-5;1-4-2-13-3-5(4)9-7-10-6(8)11-12-7/h4-6,11H,7H2,1-3H3,(H,12,13,14);4-6,11H,7H2,1-3H3,(H,12,13);3-5,11H,6H2,1-2H3,(H2,10,12);3-5,10H,6H2,1-2H3,(H2,11,12,13,14);3-5,11H,6H2,1-2H3,(H2,10,12,13,14);2*4-5H,1-3H3,(H2,10,11,12,13);2-4,10H,5H2,1H3,(H3,9,11,12,13);2-4,10H,5H2,1H3,(H2,9,12)(H,11,13);2-4,10H,5H2,1H3,(H3,9,11,12,13,14);2-4H,5H2,1H3,(H3,9,10,11,12);2-4H,5H2,1H3,(H2,9,11)(H,10,12);2-4H,5H2,1H3,(H3,9,10,11,12,13);3-4H,1-2H3,(H3,9,10,11,12);1-3,9H,4H2,(H4,8,10,11,12,13);1-3H,4H2,(H4,8,9,10,11,12);2-3H,1H3,(H4,8,9,10,11,12)
InChIKeyJPWYATVMGHCATL-UHFFFAOYSA-N
XLogP15.30
TPSA1296.16 Ų
H-Bond Donors45
H-Bond Acceptors80
Rotatable Bonds55
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003424.15
LogP ≤ 515.30
H-Bond Donors ≤ 545
H-Bond Acceptors ≤ 1080

Analyze 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine with MolForge

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What is the IUPAC name of 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine (CID 158988715) is 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine is CN(C)c1n[nH]c(N(C)Cc2ccc[nH]2)n1.CN(C)c1n[nH]c(NCc2ccc[nH]2)n1.CN(C)c1nnc(NCc2ccc[nH]2)n1C.CN(Cc1ccc[nH]1)c1n[nH]c(N)n1.CN(Cc1ccc[nH]1)c1nnc(N)n1C.CN(Cc1ccco1)c1n[nH]c(N)n1.CNc1n[nH]c(NCc2ccc[nH]2)n1.CNc1n[nH]c(NCc2ccco2)n1.CNc1nc(N(C)Cc2ccc[nH]2)n[nH]1.Cc1cc(Nc2nc(N(C)C)n[nH]2)cs1.Cc1cscc1N(C)c1n[nH]c(N)n1.Cc1cscc1Nc1n[nH]c(N)n1.Cc1cscc1Nc1nc(N(C)C)n[nH]1.Cn1c(N)nnc1NCc1ccc[nH]1.Cn1c(N)nnc1NCc1ccco1.Nc1nc(NCc2ccc[nH]2)n[nH]1.Nc1nc(NCc2ccco2)n[nH]1.
What is the InChIKey of 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is JPWYATVMGHCATL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N6.3C9H14N6.2C9H13N5S.3C8H12N6.3C8H11N5O.C8H11N5S.C7H10N6.C7H9N5O.C7H9N5S/c1-15(2)9-12-10(14-13-9)16(3)7-8-5-4-6-11-8;1-15(2)10-14-13-9(16(10)3)12-7-8-5-4-6-11-8;1-14(6-7-4-3-5-11-7)9-13-12-8(10)15(9)2;1-15(2)9-12-8(13-14-9)11-6-7-4-3-5-10-7;1-10-8-12-9(14-13-8)15(2)6-7-4-3-5-11-7;1-6-4-15-5-7(6)10-8-11-9(13-12-8)14(2)3;1-6-4-7(5-15-6)10-8-11-9(13-12-8)14(2)3;1-14(5-6-3-2-4-10-6)8-11-7(9)12-13-8;1-14-7(9)12-13-8(14)11-5-6-3-2-4-10-6;1-9-7-12-8(14-13-7)11-5-6-3-2-4-10-6;1-13(5-6-3-2-4-14-6)8-10-7(9)11-12-8;1-13-7(9)11-12-8(13)10-5-6-3-2-4-14-6;1-9-7-11-8(13-12-7)10-5-6-3-2-4-14-6;1-5-3-14-4-6(5)13(2)8-10-7(9)11-12-8;8-6-11-7(13-12-6)10-4-5-2-1-3-9-5;8-6-10-7(12-11-6)9-4-5-2-1-3-13-5;1-4-2-13-3-5(4)9-7-10-6(8)11-12-7/h4-6,11H,7H2,1-3H3,(H,12,13,14);4-6,11H,7H2,1-3H3,(H,12,13);3-5,11H,6H2,1-2H3,(H2,10,12);3-5,10H,6H2,1-2H3,(H2,11,12,13,14);3-5,11H,6H2,1-2H3,(H2,10,12,13,14);2*4-5H,1-3H3,(H2,10,11,12,13);2-4,10H,5H2,1H3,(H3,9,11,12,13);2-4,10H,5H2,1H3,(H2,9,12)(H,11,13);2-4,10H,5H2,1H3,(H3,9,11,12,13,14);2-4H,5H2,1H3,(H3,9,10,11,12);2-4H,5H2,1H3,(H2,9,11)(H,10,12);2-4H,5H2,1H3,(H3,9,10,11,12,13);3-4H,1-2H3,(H3,9,10,11,12);1-3,9H,4H2,(H4,8,10,11,12,13);1-3H,4H2,(H4,8,9,10,11,12);2-3H,1H3,(H4,8,9,10,11,12).
What are the key properties of 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 3424.15 g/mol, XLogP of 15.30, 55 rotatable bonds, 45 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-5-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-ylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N-(4-methylthiophen-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158988715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).