3-Amino-1,2,4-triazole-5-carboxylic acid

Base Information

• Chemical Name: 3-Amino-1,2,4-triazole-5-carboxylic acid
• CAS No.: 3641-13-2
• Deprecated CAS: 10054-88-3,108284-49-7,108284-49-7
• Molecular Formula: C3H4N4O2
• Molecular Weight: 128.09
• Hs Code.: 2933990090
• European Community (EC) Number: 222-868-1
• NSC Number: 513580,164710
• UNII: N0Z8Y9VGO0
• DSSTox Substance ID: DTXSID9063110
• Nikkaji Number: J39.083F
• Mol file: 3641-13-2.mol

Synonyms:3641-13-2;3-Amino-1,2,4-triazole-5-carboxylic acid;5-amino-4H-1,2,4-triazole-3-carboxylic acid;3-Amino-1H-1,2,4-triazole-5-carboxylic acid;5-Amino-1H-1,2,4-triazole-3-carboxylic acid;1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-;5-AMINO-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID;344330-19-4;NSC 513580;N0Z8Y9VGO0;s-Triazole-3-carboxylic acid, 5-amino-;EINECS 222-868-1;5-Carboxy-3-amino-1,2,4-triazole;MFCD00010620;MFCD00179325;NSC 164710;NSC-164710;NSC-513580;3-AMINO-5-CARBOXY-1,2,4-TRIAZOLE;5-Amino-4H-1,2,4-triazole-3-carboxylicacid;5-Amino-1H-[1,2,4]triazole-3-carboxylic acid;1H-1,4-Triazole-3-carboxylic acid, 5-amino-;UNII-N0Z8Y9VGO0;5-amino-2H-1,2,4-triazole-3-carboxylic acid;NCIOpen2_003620;SCHEMBL154467;DTXSID9063110;AMY16024;STR03830;2-amino-5-carboxy-1,3,4-triazole;BBL001452;MFCD00225624;NSC164710;NSC513580;STK261353;STL045903;AKOS000103388;AKOS000296694;AKOS000506777;AKOS005699370;5-amino-1,2,4-triazole-3-carboxylic;AC-2668;BS-3092;CS-W004714;A1256;BB 0221178;BB 0237735;BB 0259332;FT-0619956;5-AMINO-3-CARBOXYL-1,2,4-TRIAZOLE;5-ammonio-1H-1,2,4-triazole-3-carboxylate;EN300-33966;F14876;s-Triazole-3-carboxylic acid, 5-amino- (VAN);3-Amino-1H-1,2,4-triazole-5-carboxylic acid #;5-AMINO-(1,3,4)TRIAZOLE-2-CARBOXYLIC ACID;J-017962;W-106619;3-AMINO-1H-1,2,4-TRIZOLE-5-CARBOXYLIC ACID;5-Amino-4H-1,2,4-triazole-3-carboxylic acid, 95%;Z56922164;5-Amino-4H-(1,2,4)triazole-3-carboxylic acid, AldrichCPR

Chemical Property of 3-Amino-1,2,4-triazole-5-carboxylic acid

Chemical Property:

• Appearance/Colour: A white crystalline powder
• Vapor Pressure: 1.74E-13mmHg at 25°C
• Melting Point: 178-182°C
• Boiling Point: 562.4 °C at 760 mmHg
• PKA: 11.74±0.40(Predicted)
• Flash Point: 293.9 °C
• PSA: 104.89000
• Density: 1.856 g/cm³
• LogP: -0.33370
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 128.03342538
• Heavy Atom Count: 9
• Complexity: 127

Purity/Quality:

98% ^*data from raw suppliers

5-Amino-4H-1,2,4-triazole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NC(=NN1)N)C(=O)O
• Uses: 3-Amino-1,2,4-triazole-5-carboxylic acid is a building block used in the synthesis of purine nucleotide analogs by a promiscuous hypoxanthine phosphoribosyltransferase.

Technology Process of 3-Amino-1,2,4-triazole-5-carboxylic acid

There total 1 articles about 3-Amino-1,2,4-triazole-5-carboxylic acid 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:

→ 3-amino-1,2,4-triazole-5-carboxylic acid (3641-13-2)

Guidance literature:

aus Aminoguanidin*HCl und Oxalsaeure;

Reference yield: 95.6%

5-amino-1H-[1,2,4]triazole-3-carboxylic acid (3641-13-2) → 1,2,4-triazole-3-carboxylic acid (4928-87-4)

Guidance literature:

With hypophosphorous acid; sodium nitrite; In isopropylalcohol; water; at 5 - 50 ℃; for 1.41667h;

Reference yield: 81.86%

furfural (98-01-1) + 3-amino-1,2,4-triazole-5-carboxylic acid (3641-13-2) + benzil (134-81-6) → C22H15N5O3

Guidance literature:

With ammonium cerium (IV) nitrate; ammonium acetate; In ethanol; Reflux;

DOI:10.1016/j.cclet.2014.10.020

Downstream raw materials:

3⁽⁵⁾-amino-1,2,4-triazole

5,7-dimethyl-1,2,4-triazolo<1,5-a>pyrimidine-2-carboxylic acid

1,2,4-triazole-3-carboxylic acid

3-amino-1,2,4-triazole-5-carboxylic acid methyl ester