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

C138H190N94O9S5 — CID 158586200

IUPAC3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(N(C)c2ccc[nH]2)n1.CN(C)c1n[nH]c(N(C)c2ccco2)n1.CN(C)c1n[nH]c(Nc2ccc[nH]2)n1.CN(C)c1n[nH]c(Nc2ccco2)n1.CN(C)c1nnc(Nc2ccc[nH]2)n1C.CN(C)c1nnc(Nc2ccco2)n1C.CN(c1ccco1)c1nnc(N)n1C.CN(c1n[nH]c(N)n1)c1ccco1.CN(c1n[nH]c(N)n1)c1cccs1.CNc1n[nH]c(Nc2ccco2)n1.CNc1n[nH]c(Nc2cccs2)n1.CNc1nc(N(C)c2ccc[nH]2)n[nH]1.CNc1nc(N(C)c2ccco2)n[nH]1.CNc1nc(N(C)c2cccs2)n[nH]1.Cn1c(N)nnc1Nc1ccco1.Cn1c(N)nnc1Nc1cccs1.Nc1nc(Nc2ccco2)n[nH]1.Nc1nc(Nc2cccs2)n[nH]1
InChIInChI=1S/2C9H14N6.2C9H13N5O.2C8H12N6.3C8H11N5O.C8H11N5S.3C7H9N5O.3C7H9N5S.C6H7N5O.C6H7N5S/c1-14(2)8-11-9(13-12-8)15(3)7-5-4-6-10-7;1-14(2)9-13-12-8(15(9)3)11-7-5-4-6-10-7;1-13(2)8-10-9(12-11-8)14(3)7-5-4-6-15-7;1-13(2)9-12-11-8(14(9)3)10-7-5-4-6-15-7;1-14(2)8-11-7(12-13-8)10-6-4-3-5-9-6;1-9-7-11-8(13-12-7)14(2)6-4-3-5-10-6;1-12(6-4-3-5-14-6)8-11-10-7(9)13(8)2;1-13(2)8-10-7(11-12-8)9-6-4-3-5-14-6;2*1-9-7-10-8(12-11-7)13(2)6-4-3-5-14-6;1-12(5-3-2-4-13-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-3-2-4-13-5;1-8-6-10-7(12-11-6)9-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-3-2-4-13-5;1-8-6-10-7(12-11-6)9-5-3-2-4-13-5;2*7-5-9-6(11-10-5)8-4-2-1-3-12-4/h4-6,10H,1-3H3,(H,11,12,13);4-6,10H,1-3H3,(H,11,12);4-6H,1-3H3,(H,10,11,12);4-6H,1-3H3,(H,10,11);3-5,9H,1-2H3,(H2,10,11,12,13);3-5,10H,1-2H3,(H2,9,11,12,13);3-5H,1-2H3,(H2,9,10);3*3-5H,1-2H3,(H2,9,10,11,12);2-4H,1H3,(H3,8,9,10,11);2-4H,1H3,(H2,8,10)(H,9,11);2-4H,1H3,(H3,8,9,10,11,12);2-4H,1H3,(H3,8,9,10,11);2-4H,1H3,(H2,8,10)(H,9,11);2-4H,1H3,(H3,8,9,10,11,12);2*1-3H,(H4,7,8,9,10,11)
InChIKeyHTVXQPLZVRUSBP-UHFFFAOYSA-N
MW3470.02 g/mol
LogP19.75
Rot. Bonds47

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

3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 158586200) has the molecular formula C138H190N94O9S5 and a molecular weight of 3470.02 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID158586200
Molecular FormulaC138H190N94O9S5
Molecular Weight3470.02 g/mol
Exact Mass3467.59
IUPAC Name3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(N(C)c2ccc[nH]2)n1.CN(C)c1n[nH]c(N(C)c2ccco2)n1.CN(C)c1n[nH]c(Nc2ccc[nH]2)n1.CN(C)c1n[nH]c(Nc2ccco2)n1.CN(C)c1nnc(Nc2ccc[nH]2)n1C.CN(C)c1nnc(Nc2ccco2)n1C.CN(c1ccco1)c1nnc(N)n1C.CN(c1n[nH]c(N)n1)c1ccco1.CN(c1n[nH]c(N)n1)c1cccs1.CNc1n[nH]c(Nc2ccco2)n1.CNc1n[nH]c(Nc2cccs2)n1.CNc1nc(N(C)c2ccc[nH]2)n[nH]1.CNc1nc(N(C)c2ccco2)n[nH]1.CNc1nc(N(C)c2cccs2)n[nH]1.Cn1c(N)nnc1Nc1ccco1.Cn1c(N)nnc1Nc1cccs1.Nc1nc(Nc2ccco2)n[nH]1.Nc1nc(Nc2cccs2)n[nH]1
InChIInChI=1S/2C9H14N6.2C9H13N5O.2C8H12N6.3C8H11N5O.C8H11N5S.3C7H9N5O.3C7H9N5S.C6H7N5O.C6H7N5S/c1-14(2)8-11-9(13-12-8)15(3)7-5-4-6-10-7;1-14(2)9-13-12-8(15(9)3)11-7-5-4-6-10-7;1-13(2)8-10-9(12-11-8)14(3)7-5-4-6-15-7;1-13(2)9-12-11-8(14(9)3)10-7-5-4-6-15-7;1-14(2)8-11-7(12-13-8)10-6-4-3-5-9-6;1-9-7-11-8(13-12-7)14(2)6-4-3-5-10-6;1-12(6-4-3-5-14-6)8-11-10-7(9)13(8)2;1-13(2)8-10-7(11-12-8)9-6-4-3-5-14-6;2*1-9-7-10-8(12-11-7)13(2)6-4-3-5-14-6;1-12(5-3-2-4-13-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-3-2-4-13-5;1-8-6-10-7(12-11-6)9-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-3-2-4-13-5;1-8-6-10-7(12-11-6)9-5-3-2-4-13-5;2*7-5-9-6(11-10-5)8-4-2-1-3-12-4/h4-6,10H,1-3H3,(H,11,12,13);4-6,10H,1-3H3,(H,11,12);4-6H,1-3H3,(H,10,11,12);4-6H,1-3H3,(H,10,11);3-5,9H,1-2H3,(H2,10,11,12,13);3-5,10H,1-2H3,(H2,9,11,12,13);3-5H,1-2H3,(H2,9,10);3*3-5H,1-2H3,(H2,9,10,11,12);2-4H,1H3,(H3,8,9,10,11);2-4H,1H3,(H2,8,10)(H,9,11);2-4H,1H3,(H3,8,9,10,11,12);2-4H,1H3,(H3,8,9,10,11);2-4H,1H3,(H2,8,10)(H,9,11);2-4H,1H3,(H3,8,9,10,11,12);2*1-3H,(H4,7,8,9,10,11)
InChIKeyHTVXQPLZVRUSBP-UHFFFAOYSA-N
XLogP19.75
TPSA1283.33 Ų
H-Bond Donors39
H-Bond Acceptors91
Rotatable Bonds47
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003470.02
LogP ≤ 519.75
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1091

Analyze 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-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-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine (CID 158586200) is 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine is CN(C)c1n[nH]c(N(C)c2ccc[nH]2)n1.CN(C)c1n[nH]c(N(C)c2ccco2)n1.CN(C)c1n[nH]c(Nc2ccc[nH]2)n1.CN(C)c1n[nH]c(Nc2ccco2)n1.CN(C)c1nnc(Nc2ccc[nH]2)n1C.CN(C)c1nnc(Nc2ccco2)n1C.CN(c1ccco1)c1nnc(N)n1C.CN(c1n[nH]c(N)n1)c1ccco1.CN(c1n[nH]c(N)n1)c1cccs1.CNc1n[nH]c(Nc2ccco2)n1.CNc1n[nH]c(Nc2cccs2)n1.CNc1nc(N(C)c2ccc[nH]2)n[nH]1.CNc1nc(N(C)c2ccco2)n[nH]1.CNc1nc(N(C)c2cccs2)n[nH]1.Cn1c(N)nnc1Nc1ccco1.Cn1c(N)nnc1Nc1cccs1.Nc1nc(Nc2ccco2)n[nH]1.Nc1nc(Nc2cccs2)n[nH]1.
What is the InChIKey of 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is HTVXQPLZVRUSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14N6.2C9H13N5O.2C8H12N6.3C8H11N5O.C8H11N5S.3C7H9N5O.3C7H9N5S.C6H7N5O.C6H7N5S/c1-14(2)8-11-9(13-12-8)15(3)7-5-4-6-10-7;1-14(2)9-13-12-8(15(9)3)11-7-5-4-6-10-7;1-13(2)8-10-9(12-11-8)14(3)7-5-4-6-15-7;1-13(2)9-12-11-8(14(9)3)10-7-5-4-6-15-7;1-14(2)8-11-7(12-13-8)10-6-4-3-5-9-6;1-9-7-11-8(13-12-7)14(2)6-4-3-5-10-6;1-12(6-4-3-5-14-6)8-11-10-7(9)13(8)2;1-13(2)8-10-7(11-12-8)9-6-4-3-5-14-6;2*1-9-7-10-8(12-11-7)13(2)6-4-3-5-14-6;1-12(5-3-2-4-13-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-3-2-4-13-5;1-8-6-10-7(12-11-6)9-5-3-2-4-13-5;1-12(5-3-2-4-13-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-3-2-4-13-5;1-8-6-10-7(12-11-6)9-5-3-2-4-13-5;2*7-5-9-6(11-10-5)8-4-2-1-3-12-4/h4-6,10H,1-3H3,(H,11,12,13);4-6,10H,1-3H3,(H,11,12);4-6H,1-3H3,(H,10,11,12);4-6H,1-3H3,(H,10,11);3-5,9H,1-2H3,(H2,10,11,12,13);3-5,10H,1-2H3,(H2,9,11,12,13);3-5H,1-2H3,(H2,9,10);3*3-5H,1-2H3,(H2,9,10,11,12);2-4H,1H3,(H3,8,9,10,11);2-4H,1H3,(H2,8,10)(H,9,11);2-4H,1H3,(H3,8,9,10,11,12);2-4H,1H3,(H3,8,9,10,11);2-4H,1H3,(H2,8,10)(H,9,11);2-4H,1H3,(H3,8,9,10,11,12);2*1-3H,(H4,7,8,9,10,11).
What are the key properties of 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine?
3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 3470.02 g/mol, XLogP of 19.75, 47 rotatable bonds, 39 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-2-yl)-1H-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;5-N-(furan-2-yl)-3-N,3-N,5-N-trimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-thiophen-2-yl-1,2,4-triazole-3,5-diamine;3-N-thiophen-2-yl-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158586200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).