1H-1,2,4-triazole-5-carbohydrazide

Base Information

• Chemical Name: 1H-1,2,4-triazole-5-carbohydrazide
• CAS No.: 21732-98-9
• Molecular Formula: C3H5N5O
• Molecular Weight: 127.106
• Hs Code.: 2933990090
• European Community (EC) Number: 673-404-3
• DSSTox Substance ID: DTXSID60375286
• Wikidata: Q82163817
• Mol file: 21732-98-9.mol

Synonyms:21732-98-9;1H-1,2,4-triazole-5-carbohydrazide;1H-[1,2,4]Triazole-3-carboxylic acid hydrazide;1H-1,2,4-TRIAZOLE-3-CARBOHYDRAZIDE;1-h[1,2,4]triazole-3-carboxylic acid hydrazide;1H-1,2,4-Triazole-3-carboxylic acid hydrazide;SCHEMBL4434322;SCHEMBL24832495;DTXSID60375286;MFCD03788956;AKOS012298720;AKOS015894541;AKOS030241200;GS-6046;CS-0309274;FT-0659715;H10001;EN300-1718962;A815635;1-H[1,2,4]triazole-3-carboxylic acid hydrazide

Chemical Property of 1H-1,2,4-triazole-5-carbohydrazide

Chemical Property:

• Refractive Index: 1.638
• PKA: 8.66±0.20(Predicted)
• PSA: 96.69000
• Density: 1.555 g/cm³
• LogP: -0.50060
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 127.04940980
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

97% ^*data from raw suppliers

1-H[1,2,4]triazole-3-carboxylic acid hydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=N1)C(=O)NN

Technology Process of 1H-1,2,4-triazole-5-carbohydrazide

There total 3 articles about 1H-1,2,4-triazole-5-carbohydrazide 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: 91.0%

methyl 1H-1,2,4-triazole-3-carboxylate (4928-88-5) → 1H-[1,2,4]triazole-3-carboxylic acid hydrazide (21732-98-9)

Guidance literature:

With hydrazine hydrate; In methanol; for 24h; Reflux;

DOI:10.1002/ejic.201100746

Reference yield:

1H-tetrazole-5-carboxylic acid (75773-99-8) → 1H-[1,2,4]triazole-3-carboxylic acid hydrazide (21732-98-9)

Guidance literature:

1H-tetrazole-5-carboxylic acid; With sulfuric acid; In methanol; at 0 - 70 ℃; for 6h;

With hydrazine; In methanol; Reflux;

Reference yield:

→ 1H-[1,2,4]triazole-3-carboxylic acid hydrazide (21732-98-9)

Guidance literature:

Entspr. Me-ester, N2H4;

upstream raw materials:

1H-tetrazole-5-carboxylic acid

methyl 1H-1,2,4-triazole-3-carboxylate

Downstream raw materials:

4-phenyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

4-(4-methoxyphenyl)-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

4-cyclohexyl-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

4-(4-bromophenyl)-1-(1,2,4-triazol-3-yl-carbonyl)-thiosemicarbazide

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