3-cyclohexyl-1H-1,2,4-triazol-5-amine

Base Information

• Chemical Name: 3-cyclohexyl-1H-1,2,4-triazol-5-amine
• CAS No.: 90111-72-1
• Molecular Formula: C8H14N4
• Molecular Weight: 166.22
• DSSTox Substance ID: DTXSID70390309
• Wikidata: Q82186896
• ChEMBL ID: CHEMBL465081
• Mol file: 90111-72-1.mol

Synonyms:90111-72-1;3-cyclohexyl-1H-1,2,4-triazol-5-amine;5-Cyclohexyl-2H-[1,2,4]triazol-3-ylamine;5-cyclohexyl-1H-1,2,4-triazol-3-amine;5-cyclohexyl-1H-1,2,4-triazol-3-amine nitrate;MLS000718589;CHEMBL465081;SCHEMBL11138215;DTXSID70390309;HMS1697O02;HMS2691G14;BBL028910;MFCD00755379;STL221680;AKOS000640153;AKOS005174528;AKOS010531735;DS-18631;SMR000290857;5-Cyclohexyl-4H-1,2,4-triazol-3-amine;CS-0060791;FT-0677550;EN300-871529;W17622;A860899;5-Cyclohexyl-2H-[1,2,4]triazol-3-ylamine, AldrichCPR;Z2616432585

Chemical Property of 3-cyclohexyl-1H-1,2,4-triazol-5-amine

Chemical Property:

• Vapor Pressure: 2.98E-06mmHg at 25°C
• Boiling Point: 388.8°C at 760 mmHg
• Flash Point: 217.4°C
• Density: 1.207g/cm³
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.121846464
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

3-Cyclohexyl-1H-1,2,4-triazol-5-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=NC(=NN2)N

Technology Process of 3-cyclohexyl-1H-1,2,4-triazol-5-amine

There total 3 articles about 3-cyclohexyl-1H-1,2,4-triazol-5-amine 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: 79.0%

1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) + Cyclohexanecarboxylic acid (98-89-5) → 5-cyclohexyl-2H-[1,2,4]triazol-3-ylamine (90111-72-1)

Guidance literature:

at 220 - 230 ℃; for 3h;

Reference yield: 32.0%

1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) + cyclohexanylcarbonyl chloride (2719-27-9) → 5-cyclohexyl-2H-[1,2,4]triazol-3-ylamine (90111-72-1)

Guidance literature:

In neat (no solvent); Heating;

DOI:10.1002/cmdc.202100431

Reference yield:

→ 5-Amino-3-cyclohexyl-1,2,4-triazol (90111-72-1)

Guidance literature:

upstream raw materials:

1-aminoguanidine hydrochloride

Cyclohexanecarboxylic acid

cyclohexanylcarbonyl chloride

Downstream raw materials:

2-cyclohexyl-5-(2,3-difluorophenylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol