| Identification | More | [Name]
3-Amino-1,2,4-triazole-5-carboxylic acid | [CAS]
3641-13-2 | [Synonyms]
3-AMINO-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID HEMIHYDRATE
3-Amino-1H-1,2,4-triazole-5-carboxylic acid hydrate
5-AMINO-1(H)-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
4-triazole-3-carboxylicacid,5-amino-1h-2
3-Amino-5-carboxy-1H-1,2,4-triazole
3-AMINO-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID 98%
3-Amino-1,2,4-triazole-5-carboxylic acid
5-Amino-2H-1,2,4-triazole-3-carboxylic acid
2-Amino-5-carboxy-1,3,4-triazole
1H-5-Amino-1,2,4-trazole-3-caboxylic acid
5-Amino-s-triazole-3-carboxylic acid
5-Carboxy-2-amino-1,3,4-triazole | [EINECS(EC#)]
222-868-1 | [Molecular Formula]
C6H10N8O5 | [MDL Number]
MFCD06795815 | [Molecular Weight]
274.19 | [MOL File]
3641-13-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
178-182°C | [Boiling point ]
562.4±33.0 °C(Predicted) | [density ]
1.856±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Aqueous Base (Soluble), DMSO (Soluble, Heated) | [form ]
powder to crystal | [pka]
11.74±0.40(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C3H4N4O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H3,4,5,6,7) | [InChIKey]
MVRGLMCHDCMPKD-UHFFFAOYSA-N | [SMILES]
N1C(N)=NC(C(O)=O)=N1 | [CAS DataBase Reference]
3641-13-2(CAS DataBase Reference) | [EPA Substance Registry System]
1H-1,2,4-Triazole-3-carboxylic acid, 5-amino- (3641-13-2) |
| Questions And Answer | Back Directory | [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. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [TSCA ]
TSCA listed | [HazardClass ]
IRRITANT | [HS Code ]
2933998090 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white Powder | [Synthesis]
General procedure for the synthesis of 3-amino-1H-1,2,4-triazole-5-carboxylic acid from ethyl 2-(2-carbamoyliminohydrazide)-2-oxoacetate: ethyl 2-(2-carbamoyliminohydrazide)-2-oxoacetate (2 g, 35.60 mmol) was dissolved in water (100 ml) and the reaction was stirred for 12 hours at 100 °C. After completion of the reaction, the mixture was concentrated under vacuum to give a residue. The residue was dissolved in water (10 ml) and purified by precipitation to afford 5-amino-1H-1,2,4-triazole-3-carboxylic acid as a white solid (1.1 g, 63% yield). The product was confirmed by LC/MS (electrospray ionization, m/z) analysis: [M + H]+ 129.0. | [References]
[1] Patent: WO2014/66743, 2014, A1. Location in patent: Paragraph 0146 |
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