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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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

C77H109N45 — CID 159406079

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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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-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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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 (PubChem CID 159406079) has the molecular formula C77H109N45 and a molecular weight of 1665.03 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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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.

Molecular Properties

• Compound Name: 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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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
• PubChem CID: 159406079
• Molecular Formula: C77H109N45
• Molecular Weight: 1665.03 g/mol
• Exact Mass: 1663.99
• IUPAC Name: 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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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
• SMILES: CN(C)c1n[nH]c(NC2=CCC=C2)n1.CN(C)c1nnc(NC2=CCC=C2)n1C.CN(C1=CCC=C1)c1n[nH]c(N)n1.CN(C1=CCC=C1)c1nnc(N)n1C.CNc1n[nH]c(NC2=CCC=C2)n1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.Cn1c(N)nnc1NC1=CCC=C1.Nc1nc(NC2=CCC=C2)n[nH]1
• InChI: InChI=1S/C10H15N5.4C9H13N5.3C8H11N5.C7H9N5/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;1-13(6-4-2-3-5-6)8-10-7(9)11-12-8;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;8-6-10-7(12-11-6)9-5-3-1-2-4-5/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);2,4-5H,3H2,1H3,(H3,9,10,11,12);2,4-5H,3H2,1H3,(H2,9,11)(H,10,12);2,4-5H,3H2,1H3,(H3,9,10,11,12,13);1,3-4H,2H2,(H4,8,9,10,11,12)
• InChIKey: LNYUDROIWMJRHP-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 561.31 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.03
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	39

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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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?

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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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 (CID 159406079) 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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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.

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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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?

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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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 is CN(C)c1n[nH]c(NC2=CCC=C2)n1.CN(C)c1nnc(NC2=CCC=C2)n1C.CN(C1=CCC=C1)c1n[nH]c(N)n1.CN(C1=CCC=C1)c1nnc(N)n1C.CNc1n[nH]c(NC2=CCC=C2)n1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.CNc1nc(N(C)C2=CCC=C2)n[nH]1.Cn1c(N)nnc1NC1=CCC=C1.Nc1nc(NC2=CCC=C2)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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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?

The InChIKey is LNYUDROIWMJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.4C9H13N5.3C8H11N5.C7H9N5/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;1-13(6-4-2-3-5-6)8-10-7(9)11-12-8;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;8-6-10-7(12-11-6)9-5-3-1-2-4-5/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);2,4-5H,3H2,1H3,(H3,9,10,11,12);2,4-5H,3H2,1H3,(H2,9,11)(H,10,12);2,4-5H,3H2,1H3,(H3,9,10,11,12,13);1,3-4H,2H2,(H4,8,9,10,11,12).

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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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-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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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 has a molecular weight of 1665.03 g/mol, XLogP of 8.26, 23 rotatable bonds, 18 hydrogen bond donors, and 39 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-3-N-methyl-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;3-N-cyclopenta-1,4-dien-1-yl-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 is sourced from PubChem (CID 159406079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).