1-Benzyl-1H-1,2,4-triazole-3,5-diamine

Base Information

Chemical Name:1-Benzyl-1H-1,2,4-triazole-3,5-diamine
CAS No.:62176-87-8
Molecular Formula:C9H11N5
Molecular Weight:189.22
Hs Code.:
DSSTox Substance ID:DTXSID70488078

Synonyms:1-Benzyl-1H-1,2,4-triazole-3,5-diamine;62176-87-8;SCHEMBL17731606;DTXSID70488078;AKOS017529566;1-benzyl[1,2,4]triazole-3,5-diamine

Suppliers and Price of 1-Benzyl-1H-1,2,4-triazole-3,5-diamine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Benzyl-1H-1,2,4-triazole-3,5-diamine

Chemical Property:

PSA：84.21000
LogP:0.35100
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.10144537
Heavy Atom Count:14
Complexity:180

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN2C(=NC(=N2)N)N

Technology Process of 1-Benzyl-1H-1,2,4-triazole-3,5-diamine

There total 2 articles about 1-Benzyl-1H-1,2,4-triazole-3,5-diamine 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: 63.0%

: 15760-26-6
3-cyano-2-methylisothiourea

: 32064-65-6
benzylhydrazine oxalate

: 74-93-1
methylthiol

: 62176-87-8
1-benzyl-3,5-diamino-1,2,4-triazole

Guidance literature:: With triethylamine; In butan-1-ol; Heating;

Reference yield:

: 62176-87-8
1-benzyl-3,5-diamino-1,2,4-triazole

Guidance literature:: Guanazol, Benzylhalogenid (J?);

Reference yield: 92.0%

: 1694-29-7
3-chloropentane-2,4-dione

: 62176-87-8
1-benzyl-3,5-diamino-1,2,4-triazole

: C₁₄H₁₄ClN₄⁽¹⁺⁾*Cl^(1-)

Guidance literature:: 3-chloropentane-2,4-dione; 1-benzyl-3,5-diamino-1,2,4-triazole; In acetonitrile; for 5h; Reflux;

With chloro-trimethyl-silane; In acetonitrile; Reflux;
DOI:10.1016/j.mencom.2018.07.034