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

C142H194N90O9S2 — CID 158629507

IUPAC3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(NC2=CCC=C2)n1.CN(C)c1n[nH]c(Nc2ccoc2)n1.CN(C)c1n[nH]c(Nc2ccoc2)n1.CN(C)c1nnc(NC2=CCC=C2)n1C.CN(C1=CCC=C1)c1nnc(N)n1C.CN(c1ccoc1)c1n[nH]c(N)n1.CN(c1ccoc1)c1nnc(N)n1C.CN(c1ccsc1)c1n[nH]c(N)n1.CNc1n[nH]c(NC2=CCC=C2)n1.CNc1n[nH]c(Nc2ccoc2)n1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.CNc1nc(N(C)c2ccoc2)n[nH]1.CNc1nc(N(C)c2ccoc2)n[nH]1.Cn1c(N)nnc1NC1=CCC=C1.Cn1c(N)nnc1Nc1ccoc1.Nc1nc(Nc2ccoc2)n[nH]1.Nc1nc(Nc2ccsc2)n[nH]1
InChIInChI=1S/C10H15N5.4C9H13N5.5C8H11N5O.2C8H11N5.3C7H9N5O.C7H9N5S.C6H7N5O.C6H7N5S/c1-14(2)10-13-12-9(15(10)3)11-8-6-4-5-7-8;1-13(7-5-3-4-6-7)9-12-11-8(10)14(9)2;1-14(2)9-11-8(12-13-9)10-7-5-3-4-6-7;2*1-10-8-11-9(13-12-8)14(2)7-5-3-4-6-7;1-12(6-3-4-14-5-6)8-11-10-7(9)13(8)2;2*1-13(2)8-10-7(11-12-8)9-6-3-4-14-5-6;2*1-9-7-10-8(12-11-7)13(2)6-3-4-14-5-6;1-13-7(9)11-12-8(13)10-6-4-2-3-5-6;1-9-7-11-8(13-12-7)10-6-4-2-3-5-6;1-12(5-2-3-13-4-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-2-3-13-4-5;1-8-6-10-7(12-11-6)9-5-2-3-13-4-5;1-12(5-2-3-13-4-5)7-9-6(8)10-11-7;2*7-5-9-6(11-10-5)8-4-1-2-12-3-4/h4,6-7H,5H2,1-3H3,(H,11,12);3,5-6H,4H2,1-2H3,(H2,10,11);3*3,5-6H,4H2,1-2H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,9,10);4*3-5H,1-2H3,(H2,9,10,11,12);2,4-5H,3H2,1H3,(H2,9,11)(H,10,12);2,4-5H,3H2,1H3,(H3,9,10,11,12,13);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*1-3H,(H4,7,8,9,10,11)
InChIKeyHZAASEBOMWAXFY-UHFFFAOYSA-N
MW3369.87 g/mol
LogP18.33
Rot. Bonds46

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

3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 158629507) has the molecular formula C142H194N90O9S2 and a molecular weight of 3369.87 g/mol. Its IUPAC name is 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine
PubChem CID158629507
Molecular FormulaC142H194N90O9S2
Molecular Weight3369.87 g/mol
Exact Mass3367.69
IUPAC Name3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)c1n[nH]c(NC2=CCC=C2)n1.CN(C)c1n[nH]c(Nc2ccoc2)n1.CN(C)c1n[nH]c(Nc2ccoc2)n1.CN(C)c1nnc(NC2=CCC=C2)n1C.CN(C1=CCC=C1)c1nnc(N)n1C.CN(c1ccoc1)c1n[nH]c(N)n1.CN(c1ccoc1)c1nnc(N)n1C.CN(c1ccsc1)c1n[nH]c(N)n1.CNc1n[nH]c(NC2=CCC=C2)n1.CNc1n[nH]c(Nc2ccoc2)n1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.CNc1nc(N(C)c2ccoc2)n[nH]1.CNc1nc(N(C)c2ccoc2)n[nH]1.Cn1c(N)nnc1NC1=CCC=C1.Cn1c(N)nnc1Nc1ccoc1.Nc1nc(Nc2ccoc2)n[nH]1.Nc1nc(Nc2ccsc2)n[nH]1
InChIInChI=1S/C10H15N5.4C9H13N5.5C8H11N5O.2C8H11N5.3C7H9N5O.C7H9N5S.C6H7N5O.C6H7N5S/c1-14(2)10-13-12-9(15(10)3)11-8-6-4-5-7-8;1-13(7-5-3-4-6-7)9-12-11-8(10)14(9)2;1-14(2)9-11-8(12-13-9)10-7-5-3-4-6-7;2*1-10-8-11-9(13-12-8)14(2)7-5-3-4-6-7;1-12(6-3-4-14-5-6)8-11-10-7(9)13(8)2;2*1-13(2)8-10-7(11-12-8)9-6-3-4-14-5-6;2*1-9-7-10-8(12-11-7)13(2)6-3-4-14-5-6;1-13-7(9)11-12-8(13)10-6-4-2-3-5-6;1-9-7-11-8(13-12-7)10-6-4-2-3-5-6;1-12(5-2-3-13-4-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-2-3-13-4-5;1-8-6-10-7(12-11-6)9-5-2-3-13-4-5;1-12(5-2-3-13-4-5)7-9-6(8)10-11-7;2*7-5-9-6(11-10-5)8-4-1-2-12-3-4/h4,6-7H,5H2,1-3H3,(H,11,12);3,5-6H,4H2,1-2H3,(H2,10,11);3*3,5-6H,4H2,1-2H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,9,10);4*3-5H,1-2H3,(H2,9,10,11,12);2,4-5H,3H2,1H3,(H2,9,11)(H,10,12);2,4-5H,3H2,1H3,(H3,9,10,11,12,13);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*1-3H,(H4,7,8,9,10,11)
InChIKeyHZAASEBOMWAXFY-UHFFFAOYSA-N
XLogP18.33
TPSA1251.74 Ų
H-Bond Donors37
H-Bond Acceptors88
Rotatable Bonds46
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003369.87
LogP ≤ 518.33
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1088

Analyze 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-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-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine (CID 158629507) is 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine is CN(C)c1n[nH]c(NC2=CCC=C2)n1.CN(C)c1n[nH]c(Nc2ccoc2)n1.CN(C)c1n[nH]c(Nc2ccoc2)n1.CN(C)c1nnc(NC2=CCC=C2)n1C.CN(C1=CCC=C1)c1nnc(N)n1C.CN(c1ccoc1)c1n[nH]c(N)n1.CN(c1ccoc1)c1nnc(N)n1C.CN(c1ccsc1)c1n[nH]c(N)n1.CNc1n[nH]c(NC2=CCC=C2)n1.CNc1n[nH]c(Nc2ccoc2)n1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.CNc1nc(N(C)c2ccoc2)n[nH]1.CNc1nc(N(C)c2ccoc2)n[nH]1.Cn1c(N)nnc1NC1=CCC=C1.Cn1c(N)nnc1Nc1ccoc1.Nc1nc(Nc2ccoc2)n[nH]1.Nc1nc(Nc2ccsc2)n[nH]1.
What is the InChIKey of 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is HZAASEBOMWAXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.4C9H13N5.5C8H11N5O.2C8H11N5.3C7H9N5O.C7H9N5S.C6H7N5O.C6H7N5S/c1-14(2)10-13-12-9(15(10)3)11-8-6-4-5-7-8;1-13(7-5-3-4-6-7)9-12-11-8(10)14(9)2;1-14(2)9-11-8(12-13-9)10-7-5-3-4-6-7;2*1-10-8-11-9(13-12-8)14(2)7-5-3-4-6-7;1-12(6-3-4-14-5-6)8-11-10-7(9)13(8)2;2*1-13(2)8-10-7(11-12-8)9-6-3-4-14-5-6;2*1-9-7-10-8(12-11-7)13(2)6-3-4-14-5-6;1-13-7(9)11-12-8(13)10-6-4-2-3-5-6;1-9-7-11-8(13-12-7)10-6-4-2-3-5-6;1-12(5-2-3-13-4-5)7-9-6(8)10-11-7;1-12-6(8)10-11-7(12)9-5-2-3-13-4-5;1-8-6-10-7(12-11-6)9-5-2-3-13-4-5;1-12(5-2-3-13-4-5)7-9-6(8)10-11-7;2*7-5-9-6(11-10-5)8-4-1-2-12-3-4/h4,6-7H,5H2,1-3H3,(H,11,12);3,5-6H,4H2,1-2H3,(H2,10,11);3*3,5-6H,4H2,1-2H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,9,10);4*3-5H,1-2H3,(H2,9,10,11,12);2,4-5H,3H2,1H3,(H2,9,11)(H,10,12);2,4-5H,3H2,1H3,(H3,9,10,11,12,13);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*1-3H,(H4,7,8,9,10,11).
What are the key properties of 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine?
3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 3369.87 g/mol, XLogP of 18.33, 46 rotatable bonds, 37 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopenta-1,4-dien-1-yl-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-cyclopenta-1,4-dien-1-yl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-cyclopenta-1,4-dien-1-yl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N,4-trimethyl-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-3-N,4-dimethyl-1,2,4-triazole-3,5-diamine;bis(3-N-(furan-3-yl)-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);bis(5-N-(furan-3-yl)-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine);3-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-4-methyl-1,2,4-triazole-3,5-diamine;5-N-(furan-3-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N-(furan-3-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine;3-N-thiophen-3-yl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158629507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).