1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-

Base Information

• Chemical Name: 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-
• CAS No.: 51108-33-9
• Molecular Formula: C4H9N5
• Molecular Weight: 127.149
• NSC Number: 207095
• UNII: XUH6LU8TWQ
• DSSTox Substance ID: DTXSID40308673
• Nikkaji Number: J89.602K
• Wikidata: Q82056667
• Mol file: 51108-33-9.mol

Synonyms:51108-33-9;1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-;3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;N5,N5-dimethyl-1H-1,2,4-triazole-3,5-diamine;NSC-207095;N3,N3-dimethyl-1H-1,2,4-triazole-3,5-diamine;1H-1,2,4-Triazole-3,5-diamine, N5,N5-dimethyl-;NSC207095;XUH6LU8TWQ;SCHEMBL5174734;SCHEMBL9793601;SCHEMBL16921961;DTXSID40308673;BCA10833;AKOS006341691;AKOS013498222;AKOS030757123;AT21329;NSC 207095;5-amino-3-dimethylamino-1H-1,2,4-triazole;EN300-207272;1H-1,4-Triazole-3,5-diamine, N,N-dimethyl-;N,N-Dimethyl-1H-1,2,4-triazole-3,5-diamine;N',N'-dimethyl-4H-1,2,4-triazole-3,5-diamine;Z2037266943;1H-1,2,4-TRIAZOLE-3,5-DIAMINE N5,N5-DIMETHYL-;3-N,3-N-DIMETHYL-4H-1,2,4-TRIAZOLE-3,5-DIAMINE

Chemical Property of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-

Chemical Property:

• Vapor Pressure: 0.000251mmHg at 25°C
• Boiling Point: 324.1°C at 760 mmHg
• Flash Point: 149.8°C
• Density: 1.345g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 127.08579531
• Heavy Atom Count: 9
• Complexity: 93

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NNC(=N1)N

Technology Process of 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl-

There total 4 articles about 1H-1,2,4-Triazole-3,5-diamine, N,N-dimethyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 58.0%

N-cyano-S,N1,N1-trimethylisothiourea (51108-31-7) → methylthiol (74-93-1) + 5-amino-3-dimethylamino-1H-1,2,4-triazole (51108-33-9)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

Reference yield: 49.0%

Methyl (3-dimethylamino-5-amino-1H-1,2,4-triazol-1-yl)dithiocarbonate (131022-99-6) + methylhydrazine (60-34-4) → N-methyl-hydrazinecarbodithioic acid methyl ester (20184-94-5) + 1-(5-amino-3-dimethylamino-1H-1,2,4-triazol-1-yl)-N'-methylcarbothiohydrazide + 5-Amino-3-dimethylamino-[1,2,4]triazole-1-carbothioic acid N-methyl-hydrazide + 5-amino-3-dimethylamino-1H-1,2,4-triazole (51108-33-9)

Guidance literature:

In methanol; for 16h; Yields of byproduct given; Ambient temperature;

Reference yield:

→ 3-Amino-5-dimethylamino-1,2,4-triazol (51108-33-9)

Guidance literature:

2, Hydrazin;

DOI:10.1021/jo00924a015

upstream raw materials:

N-cyano-S,N¹,N¹-trimethylisothiourea

Methyl (3-dimethylamino-5-amino-1H-1,2,4-triazol-1-yl)dithiocarbonate

methylhydrazine

Downstream raw materials:

N,N,S-trimethyldithiocarbamate

methyl (3-dimethylamino-1,2,4-triazol-5-yl)aminodithiocarbonate