CID 13500908

Base Information

Chemical Name:CID 13500908
CAS No.:98087-97-9
Molecular Formula:C₁₆H₁₈N₆
Molecular Weight:294.359
Hs Code.:
ChEMBL ID:CHEMBL42614
DSSTox Substance ID:DTXSID301025189
Nikkaji Number:J1.545.413J

Synonyms:98087-97-9;CHEMBL42614;DTXSID301025189;4-(3-amino-1H-1,2,4-triazol-5-yl)-N-(3-phenylpropyl)pyridin-2-amine

Suppliers and Price of CID 13500908

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
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Total 0 raw suppliers

Chemical Property of CID 13500908

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:294.15929460
Heavy Atom Count:22
Complexity:320

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCCNC2=NC=CC(=C2)C3=NC(=NN3)N

Technology Process of CID 13500908

There total 3 articles about CID 13500908 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:

: 58481-04-2
2-chloroisonicotinic acid hydrazide

: 98087-97-9
[4-(5-Amino-1H-[1,2,4]triazol-3-yl)-pyridin-2-yl]-(3-phenyl-propyl)-amine

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: H₂O / 15 h / 175 °C

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

Reference yield:

: 2038-57-5
3-Phenylpropan-1-amine

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

: 98087-97-9
[4-(5-Amino-1H-[1,2,4]triazol-3-yl)-pyridin-2-yl]-(3-phenyl-propyl)-amine

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

Reference yield:

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

: 98087-97-9
[4-(5-Amino-1H-[1,2,4]triazol-3-yl)-pyridin-2-yl]-(3-phenyl-propyl)-amine

Guidance literature:: Multi-step reaction with 2 steps

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

2: H₂O / 15 h / 175 °C

In water;
DOI:10.1021/jm00149a015