CID 12889424

Base Information

Chemical Name:CID 12889424
CAS No.:77314-69-3
Molecular Formula:C₁₅H₁₆N₆
Molecular Weight:280.332
Hs Code.:
ChEMBL ID:CHEMBL43094
DSSTox Substance ID:DTXSID001025073
Nikkaji Number:J1.587.137G

Synonyms:77314-69-3;CHEMBL43094;SCHEMBL11338988;DTXSID001025073;4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(2-phenylethyl)pyridin-2-amine

Suppliers and Price of CID 12889424

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of CID 12889424

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:280.14364454
Heavy Atom Count:21
Complexity:307

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCNC2=NC=CC(=C2)C3=NC(=NN3)N

Technology Process of CID 12889424

There total 4 articles about CID 12889424 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: 49.0%

: 64-04-0
phenethylamine

: 77314-55-7
3-amino-5-(2-chloro-4-pyridyl)-1,2,4-triazole

: 77314-69-3
3-amino-<5-<(2-phenylethyl)amino>-4-pyridyl>-1,2,4-triazole

Guidance literature:: In water; at 175 ℃; for 15h;
DOI:10.1021/jm00149a015

Reference yield:

: 58481-04-2
2-chloroisonicotinic acid hydrazide

: 77314-69-3
3-amino-<5-<(2-phenylethyl)amino>-4-pyridyl>-1,2,4-triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / sodium hydroxide / 20 h / Ambient temperature

2: 53 percent / 14 h / 210 °C / 0.05 Torr

3: 49 percent / H₂O / 15 h / 175 °C

With sodium hydroxide; In water;
DOI:10.1021/jm00149a015

Reference yield:

: 77314-43-3
2-chloroisonicotinic acid 2-amidinohydrazide

: 77314-69-3
3-amino-<5-<(2-phenylethyl)amino>-4-pyridyl>-1,2,4-triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 53 percent / 14 h / 210 °C / 0.05 Torr

2: 49 percent / H₂O / 15 h / 175 °C

In water;
DOI:10.1021/jm00149a015