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

C127H201N67O5 — CID 158763065

IUPAC3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCNc1n[nH]c(NCCc2ccc(C)[nH]2)n1.CNc1n[nH]c(NCCc2ccc(C)o2)n1.CNc1nc(N(C)CCc2ccc(C)[nH]2)n[nH]1.Cc1ccc(CCN(C)c2n[nH]c(N)n2)o1.Cc1ccc(CCN(C)c2nc(N(C)C)n[nH]2)[nH]1.Cc1ccc(CCN(C)c2nnc(N)n2C)[nH]1.Cc1ccc(CCN(C)c2nnc(N)n2C)o1.Cc1ccc(CCNc2n[nH]c(N)n2)o1.Cc1ccc(CCNc2nc(N(C)C)n[nH]2)[nH]1.Cc1ccc(CCNc2nnc(N(C)C)n2C)[nH]1.Cc1ccc(CCNc2nnc(N)n2C)[nH]1.Cc1ccc(CCNc2nnc(N)n2C)o1
InChIInChI=1S/2C12H20N6.3C11H18N6.C11H17N5O.2C10H16N6.3C10H15N5O.C9H13N5O/c1-9-5-6-10(13-9)7-8-18(4)12-14-11(15-16-12)17(2)3;1-9-5-6-10(14-9)7-8-13-11-15-16-12(17(2)3)18(11)4;1-8-4-5-9(13-8)6-7-16(2)11-15-14-10(12)17(11)3;1-8-4-5-9(13-8)6-7-12-10-14-11(16-15-10)17(2)3;1-8-4-5-9(13-8)6-7-17(3)11-14-10(12-2)15-16-11;1-8-4-5-9(17-8)6-7-15(2)11-14-13-10(12)16(11)3;1-7-3-4-8(13-7)5-6-12-10-15-14-9(11)16(10)2;1-7-3-4-8(13-7)5-6-12-10-14-9(11-2)15-16-10;1-7-3-4-8(16-7)5-6-15(2)10-12-9(11)13-14-10;1-7-3-4-8(16-7)5-6-12-10-14-13-9(11)15(10)2;1-7-3-4-8(16-7)5-6-12-10-13-9(11-2)14-15-10;1-6-2-3-7(15-6)4-5-11-9-12-8(10)13-14-9/h5-6,13H,7-8H2,1-4H3,(H,14,15,16);5-6,14H,7-8H2,1-4H3,(H,13,15);4-5,13H,6-7H2,1-3H3,(H2,12,14);2*4-5,13H,6-7H2,1-3H3,(H2,12,14,15,16);4-5H,6-7H2,1-3H3,(H2,12,13);3-4,13H,5-6H2,1-2H3,(H2,11,14)(H,12,15);3-4,13H,5-6H2,1-2H3,(H3,11,12,14,15,16);3-4H,5-6H2,1-2H3,(H3,11,12,13,14);3-4H,5-6H2,1-2H3,(H2,11,13)(H,12,14);3-4H,5-6H2,1-2H3,(H3,11,12,13,14,15);2-3H,4-5H2,1H3,(H4,10,11,12,13,14)
InChIKeyIOXJWUCCFPCBDK-UHFFFAOYSA-N
MW2746.47 g/mol
LogP12.46
Rot. Bonds54

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

3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 158763065) has the molecular formula C127H201N67O5 and a molecular weight of 2746.47 g/mol. Its IUPAC name is 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID158763065
Molecular FormulaC127H201N67O5
Molecular Weight2746.47 g/mol
Exact Mass2744.75
IUPAC Name3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCNc1n[nH]c(NCCc2ccc(C)[nH]2)n1.CNc1n[nH]c(NCCc2ccc(C)o2)n1.CNc1nc(N(C)CCc2ccc(C)[nH]2)n[nH]1.Cc1ccc(CCN(C)c2n[nH]c(N)n2)o1.Cc1ccc(CCN(C)c2nc(N(C)C)n[nH]2)[nH]1.Cc1ccc(CCN(C)c2nnc(N)n2C)[nH]1.Cc1ccc(CCN(C)c2nnc(N)n2C)o1.Cc1ccc(CCNc2n[nH]c(N)n2)o1.Cc1ccc(CCNc2nc(N(C)C)n[nH]2)[nH]1.Cc1ccc(CCNc2nnc(N(C)C)n2C)[nH]1.Cc1ccc(CCNc2nnc(N)n2C)[nH]1.Cc1ccc(CCNc2nnc(N)n2C)o1
InChIInChI=1S/2C12H20N6.3C11H18N6.C11H17N5O.2C10H16N6.3C10H15N5O.C9H13N5O/c1-9-5-6-10(13-9)7-8-18(4)12-14-11(15-16-12)17(2)3;1-9-5-6-10(14-9)7-8-13-11-15-16-12(17(2)3)18(11)4;1-8-4-5-9(13-8)6-7-16(2)11-15-14-10(12)17(11)3;1-8-4-5-9(13-8)6-7-12-10-14-11(16-15-10)17(2)3;1-8-4-5-9(13-8)6-7-17(3)11-14-10(12-2)15-16-11;1-8-4-5-9(17-8)6-7-15(2)11-14-13-10(12)16(11)3;1-7-3-4-8(13-7)5-6-12-10-15-14-9(11)16(10)2;1-7-3-4-8(13-7)5-6-12-10-14-9(11-2)15-16-10;1-7-3-4-8(16-7)5-6-15(2)10-12-9(11)13-14-10;1-7-3-4-8(16-7)5-6-12-10-14-13-9(11)15(10)2;1-7-3-4-8(16-7)5-6-12-10-13-9(11-2)14-15-10;1-6-2-3-7(15-6)4-5-11-9-12-8(10)13-14-9/h5-6,13H,7-8H2,1-4H3,(H,14,15,16);5-6,14H,7-8H2,1-4H3,(H,13,15);4-5,13H,6-7H2,1-3H3,(H2,12,14);2*4-5,13H,6-7H2,1-3H3,(H2,12,14,15,16);4-5H,6-7H2,1-3H3,(H2,12,13);3-4,13H,5-6H2,1-2H3,(H2,11,14)(H,12,15);3-4,13H,5-6H2,1-2H3,(H3,11,12,14,15,16);3-4H,5-6H2,1-2H3,(H3,11,12,13,14);3-4H,5-6H2,1-2H3,(H2,11,13)(H,12,14);3-4H,5-6H2,1-2H3,(H3,11,12,13,14,15);2-3H,4-5H2,1H3,(H4,10,11,12,13,14)
InChIKeyIOXJWUCCFPCBDK-UHFFFAOYSA-N
XLogP12.46
TPSA923.11 Ų
H-Bond Donors30
H-Bond Acceptors58
Rotatable Bonds54
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002746.47
LogP ≤ 512.46
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1058

Analyze 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine (CID 158763065) is 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine is CNc1n[nH]c(NCCc2ccc(C)[nH]2)n1.CNc1n[nH]c(NCCc2ccc(C)o2)n1.CNc1nc(N(C)CCc2ccc(C)[nH]2)n[nH]1.Cc1ccc(CCN(C)c2n[nH]c(N)n2)o1.Cc1ccc(CCN(C)c2nc(N(C)C)n[nH]2)[nH]1.Cc1ccc(CCN(C)c2nnc(N)n2C)[nH]1.Cc1ccc(CCN(C)c2nnc(N)n2C)o1.Cc1ccc(CCNc2n[nH]c(N)n2)o1.Cc1ccc(CCNc2nc(N(C)C)n[nH]2)[nH]1.Cc1ccc(CCNc2nnc(N(C)C)n2C)[nH]1.Cc1ccc(CCNc2nnc(N)n2C)[nH]1.Cc1ccc(CCNc2nnc(N)n2C)o1.
What is the InChIKey of 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is IOXJWUCCFPCBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20N6.3C11H18N6.C11H17N5O.2C10H16N6.3C10H15N5O.C9H13N5O/c1-9-5-6-10(13-9)7-8-18(4)12-14-11(15-16-12)17(2)3;1-9-5-6-10(14-9)7-8-13-11-15-16-12(17(2)3)18(11)4;1-8-4-5-9(13-8)6-7-16(2)11-15-14-10(12)17(11)3;1-8-4-5-9(13-8)6-7-12-10-14-11(16-15-10)17(2)3;1-8-4-5-9(13-8)6-7-17(3)11-14-10(12-2)15-16-11;1-8-4-5-9(17-8)6-7-15(2)11-14-13-10(12)16(11)3;1-7-3-4-8(13-7)5-6-12-10-15-14-9(11)16(10)2;1-7-3-4-8(13-7)5-6-12-10-14-9(11-2)15-16-10;1-7-3-4-8(16-7)5-6-15(2)10-12-9(11)13-14-10;1-7-3-4-8(16-7)5-6-12-10-14-13-9(11)15(10)2;1-7-3-4-8(16-7)5-6-12-10-13-9(11-2)14-15-10;1-6-2-3-7(15-6)4-5-11-9-12-8(10)13-14-9/h5-6,13H,7-8H2,1-4H3,(H,14,15,16);5-6,14H,7-8H2,1-4H3,(H,13,15);4-5,13H,6-7H2,1-3H3,(H2,12,14);2*4-5,13H,6-7H2,1-3H3,(H2,12,14,15,16);4-5H,6-7H2,1-3H3,(H2,12,13);3-4,13H,5-6H2,1-2H3,(H2,11,14)(H,12,15);3-4,13H,5-6H2,1-2H3,(H3,11,12,14,15,16);3-4H,5-6H2,1-2H3,(H3,11,12,13,14);3-4H,5-6H2,1-2H3,(H2,11,13)(H,12,14);3-4H,5-6H2,1-2H3,(H3,11,12,13,14,15);2-3H,4-5H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 2746.47 g/mol, XLogP of 12.46, 54 rotatable bonds, 30 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-dimethyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N-dimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N,4-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methylfuran-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,2,4-triazole-3,5-diamine;3-N,3-N,5-N-trimethyl-5-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158763065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).