3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

C135H195N75O8S7 — CID 165105682

IUPAC3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1cc(CN(C)c2n[nH]c(N)n2)co1.Cc1cc(CN(C)c2n[nH]c(N)n2)cs1.Cc1cc(CNc2n[nH]c(N)n2)co1.Cc1cc(CNc2n[nH]c(N)n2)cs1.Cc1cc(CNc2nc(N(C)C)n[nH]2)co1.Cc1cc(CNc2nc(N(C)C)n[nH]2)cs1.Cc1cocc1CN(C)c1n[nH]c(N)n1.Cc1cocc1CNc1n[nH]c(N)n1.Cc1cocc1CNc1nc(N(C)C)n[nH]1.Cc1cscc1CNc1n[nH]c(N)n1.Cc1occc1CN(C)c1n[nH]c(N)n1.Cc1occc1CNc1nc(N(C)C)n[nH]1.Cc1sccc1CN(C)c1n[nH]c(N)n1.Cc1sccc1CNc1n[nH]c(N)n1.Cc1sccc1CNc1nc(N(C)C)n[nH]1
InChIInChI=1S/3C10H15N5O.2C10H15N5S.3C9H13N5O.2C9H13N5S.2C8H11N5O.3C8H11N5S/c1-7-5-16-6-8(7)4-11-9-12-10(14-13-9)15(2)3;1-7-4-8(6-16-7)5-11-9-12-10(14-13-9)15(2)3;1-7-8(4-5-16-7)6-11-9-12-10(14-13-9)15(2)3;1-7-4-8(6-16-7)5-11-9-12-10(14-13-9)15(2)3;1-7-8(4-5-16-7)6-11-9-12-10(14-13-9)15(2)3;1-6-4-15-5-7(6)3-14(2)9-11-8(10)12-13-9;1-6-3-7(5-15-6)4-14(2)9-11-8(10)12-13-9;1-6-7(3-4-15-6)5-14(2)9-11-8(10)12-13-9;1-6-3-7(5-15-6)4-14(2)9-11-8(10)12-13-9;1-6-7(3-4-15-6)5-14(2)9-11-8(10)12-13-9;1-5-3-14-4-6(5)2-10-8-11-7(9)12-13-8;1-5-2-6(4-14-5)3-10-8-11-7(9)12-13-8;1-5-3-14-4-6(5)2-10-8-11-7(9)12-13-8;1-5-2-6(4-14-5)3-10-8-11-7(9)12-13-8;1-5-6(2-3-14-5)4-10-8-11-7(9)12-13-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14);4,6H,5H2,1-3H3,(H2,11,12,13,14);4-5H,6H2,1-3H3,(H2,11,12,13,14);4,6H,5H2,1-3H3,(H2,11,12,13,14);4-5H,6H2,1-3H3,(H2,11,12,13,14);4-5H,3H2,1-2H3,(H3,10,11,12,13);3,5H,4H2,1-2H3,(H3,10,11,12,13);3-4H,5H2,1-2H3,(H3,10,11,12,13);3,5H,4H2,1-2H3,(H3,10,11,12,13);3-4H,5H2,1-2H3,(H3,10,11,12,13);3-4H,2H2,1H3,(H4,9,10,11,12,13);2,4H,3H2,1H3,(H4,9,10,11,12,13);3-4H,2H2,1H3,(H4,9,10,11,12,13);2,4H,3H2,1H3,(H4,9,10,11,12,13);2-3H,4H2,1H3,(H4,9,10,11,12,13)
InChIKeyZBTKSVOUDDDUFZ-UHFFFAOYSA-N
MW3221.03 g/mol
LogP19.33
Rot. Bonds50

About 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 165105682) has the molecular formula C135H195N75O8S7 and a molecular weight of 3221.03 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID165105682
Molecular FormulaC135H195N75O8S7
Molecular Weight3221.03 g/mol
Exact Mass3218.52
IUPAC Name3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1cc(CN(C)c2n[nH]c(N)n2)co1.Cc1cc(CN(C)c2n[nH]c(N)n2)cs1.Cc1cc(CNc2n[nH]c(N)n2)co1.Cc1cc(CNc2n[nH]c(N)n2)cs1.Cc1cc(CNc2nc(N(C)C)n[nH]2)co1.Cc1cc(CNc2nc(N(C)C)n[nH]2)cs1.Cc1cocc1CN(C)c1n[nH]c(N)n1.Cc1cocc1CNc1n[nH]c(N)n1.Cc1cocc1CNc1nc(N(C)C)n[nH]1.Cc1cscc1CNc1n[nH]c(N)n1.Cc1occc1CN(C)c1n[nH]c(N)n1.Cc1occc1CNc1nc(N(C)C)n[nH]1.Cc1sccc1CN(C)c1n[nH]c(N)n1.Cc1sccc1CNc1n[nH]c(N)n1.Cc1sccc1CNc1nc(N(C)C)n[nH]1
InChIInChI=1S/3C10H15N5O.2C10H15N5S.3C9H13N5O.2C9H13N5S.2C8H11N5O.3C8H11N5S/c1-7-5-16-6-8(7)4-11-9-12-10(14-13-9)15(2)3;1-7-4-8(6-16-7)5-11-9-12-10(14-13-9)15(2)3;1-7-8(4-5-16-7)6-11-9-12-10(14-13-9)15(2)3;1-7-4-8(6-16-7)5-11-9-12-10(14-13-9)15(2)3;1-7-8(4-5-16-7)6-11-9-12-10(14-13-9)15(2)3;1-6-4-15-5-7(6)3-14(2)9-11-8(10)12-13-9;1-6-3-7(5-15-6)4-14(2)9-11-8(10)12-13-9;1-6-7(3-4-15-6)5-14(2)9-11-8(10)12-13-9;1-6-3-7(5-15-6)4-14(2)9-11-8(10)12-13-9;1-6-7(3-4-15-6)5-14(2)9-11-8(10)12-13-9;1-5-3-14-4-6(5)2-10-8-11-7(9)12-13-8;1-5-2-6(4-14-5)3-10-8-11-7(9)12-13-8;1-5-3-14-4-6(5)2-10-8-11-7(9)12-13-8;1-5-2-6(4-14-5)3-10-8-11-7(9)12-13-8;1-5-6(2-3-14-5)4-10-8-11-7(9)12-13-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14);4,6H,5H2,1-3H3,(H2,11,12,13,14);4-5H,6H2,1-3H3,(H2,11,12,13,14);4,6H,5H2,1-3H3,(H2,11,12,13,14);4-5H,6H2,1-3H3,(H2,11,12,13,14);4-5H,3H2,1-2H3,(H3,10,11,12,13);3,5H,4H2,1-2H3,(H3,10,11,12,13);3-4H,5H2,1-2H3,(H3,10,11,12,13);3,5H,4H2,1-2H3,(H3,10,11,12,13);3-4H,5H2,1-2H3,(H3,10,11,12,13);3-4H,2H2,1H3,(H4,9,10,11,12,13);2,4H,3H2,1H3,(H4,9,10,11,12,13);3-4H,2H2,1H3,(H4,9,10,11,12,13);2,4H,3H2,1H3,(H4,9,10,11,12,13);2-3H,4H2,1H3,(H4,9,10,11,12,13)
InChIKeyZBTKSVOUDDDUFZ-UHFFFAOYSA-N
XLogP19.33
TPSA1141.57 Ų
H-Bond Donors35
H-Bond Acceptors75
Rotatable Bonds50
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003221.03
LogP ≤ 519.33
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1075

Analyze 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-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-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 165105682) is 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is Cc1cc(CN(C)c2n[nH]c(N)n2)co1.Cc1cc(CN(C)c2n[nH]c(N)n2)cs1.Cc1cc(CNc2n[nH]c(N)n2)co1.Cc1cc(CNc2n[nH]c(N)n2)cs1.Cc1cc(CNc2nc(N(C)C)n[nH]2)co1.Cc1cc(CNc2nc(N(C)C)n[nH]2)cs1.Cc1cocc1CN(C)c1n[nH]c(N)n1.Cc1cocc1CNc1n[nH]c(N)n1.Cc1cocc1CNc1nc(N(C)C)n[nH]1.Cc1cscc1CNc1n[nH]c(N)n1.Cc1occc1CN(C)c1n[nH]c(N)n1.Cc1occc1CNc1nc(N(C)C)n[nH]1.Cc1sccc1CN(C)c1n[nH]c(N)n1.Cc1sccc1CNc1n[nH]c(N)n1.Cc1sccc1CNc1nc(N(C)C)n[nH]1.
What is the InChIKey of 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is ZBTKSVOUDDDUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H15N5O.2C10H15N5S.3C9H13N5O.2C9H13N5S.2C8H11N5O.3C8H11N5S/c1-7-5-16-6-8(7)4-11-9-12-10(14-13-9)15(2)3;1-7-4-8(6-16-7)5-11-9-12-10(14-13-9)15(2)3;1-7-8(4-5-16-7)6-11-9-12-10(14-13-9)15(2)3;1-7-4-8(6-16-7)5-11-9-12-10(14-13-9)15(2)3;1-7-8(4-5-16-7)6-11-9-12-10(14-13-9)15(2)3;1-6-4-15-5-7(6)3-14(2)9-11-8(10)12-13-9;1-6-3-7(5-15-6)4-14(2)9-11-8(10)12-13-9;1-6-7(3-4-15-6)5-14(2)9-11-8(10)12-13-9;1-6-3-7(5-15-6)4-14(2)9-11-8(10)12-13-9;1-6-7(3-4-15-6)5-14(2)9-11-8(10)12-13-9;1-5-3-14-4-6(5)2-10-8-11-7(9)12-13-8;1-5-2-6(4-14-5)3-10-8-11-7(9)12-13-8;1-5-3-14-4-6(5)2-10-8-11-7(9)12-13-8;1-5-2-6(4-14-5)3-10-8-11-7(9)12-13-8;1-5-6(2-3-14-5)4-10-8-11-7(9)12-13-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14);4,6H,5H2,1-3H3,(H2,11,12,13,14);4-5H,6H2,1-3H3,(H2,11,12,13,14);4,6H,5H2,1-3H3,(H2,11,12,13,14);4-5H,6H2,1-3H3,(H2,11,12,13,14);4-5H,3H2,1-2H3,(H3,10,11,12,13);3,5H,4H2,1-2H3,(H3,10,11,12,13);3-4H,5H2,1-2H3,(H3,10,11,12,13);3,5H,4H2,1-2H3,(H3,10,11,12,13);3-4H,5H2,1-2H3,(H3,10,11,12,13);3-4H,2H2,1H3,(H4,9,10,11,12,13);2,4H,3H2,1H3,(H4,9,10,11,12,13);3-4H,2H2,1H3,(H4,9,10,11,12,13);2,4H,3H2,1H3,(H4,9,10,11,12,13);2-3H,4H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 3221.03 g/mol, XLogP of 19.33, 50 rotatable bonds, 35 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-5-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(4-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylfuran-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(2-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(4-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[(5-methylthiophen-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 165105682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).