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Cas Database |
| Name |
5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine |
EINECS | N/A |
| CAS No. | 3652-17-3 | Density | 1.45 g/cm3 |
| PSA | 80.48000 | LogP | 1.03010 |
| Solubility | N/A | Melting Point |
272-274 °C |
| Formula | C7H7N5 | Boiling Point | 477 °C at 760 mmHg |
| Molecular Weight | 161.166 | Flash Point | 273.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1H-1,2,4-Triazol-3-amine,5-(4-pyridinyl)- (9CI);Pyridine, 4-(5-amino-s-triazol-3-yl)- (6CI,7CI,8CI);[5-(Pyridin-4-yl)-2H-[1,2,4]triazol-3-yl]amine; |
Article Data | 19 |
5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine Synthetic route
- 3652-17-3
3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine
| Conditions | Yield |
|---|---|
| In water Heating; | 98% |
| In water for 6h; Reflux; | 98% |
| In water at 25 - 100℃; for 0.2h; Microwave irradiation; Inert atmosphere; |
- 55-22-1
pyridine-4-carboxylic acid
- 1937-19-5
1-aminoguanidine hydrochloride
- 3652-17-3
3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine
| Conditions | Yield |
|---|---|
| at 190℃; for 9h; Inert atmosphere; | 92% |
| at 220 - 230℃; for 3h; | 89% |
| at 230℃; for 1h; | 82% |
| In neat (no solvent) at 190℃; for 5h; | 66% |
- 55-22-1
pyridine-4-carboxylic acid
- 2834-84-6
aminoguanidine sulphate
- 3652-17-3
3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine
| Conditions | Yield |
|---|---|
| at 210℃; for 2h; | 90% |
| Conditions | Yield |
|---|---|
| With potassium carbonate; dimethyl sulfate In water at 50℃; for 18h; Green chemistry; | 87% |
| Conditions | Yield |
|---|---|
| at 230℃; for 0.166667h; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide / H2O / 24 h / Ambient temperature 2: 0.17 h / 230 °C View Scheme |
- 1354647-05-4
5-amino-3-(pyridin-4-yl)-1,2,4-triazole hydrochloride
- 3652-17-3
3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 100℃; | 4.62 g |
- 14254-57-0
4-(chlorocarbonyl)pyridine
- 3652-17-3
3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: pyridine / 12.5 h / 0 - 20 °C / Inert atmosphere 2: water / 0.2 h / 25 - 100 °C / Microwave irradiation; Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| at 210℃; for 2h; | 92% |
| Conditions | Yield |
|---|---|
| With pyridine In tetrahydrofuran at 0 - 20℃; for 6h; regioselective reaction; | 87% |
5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine Specification
The 5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine ,its cas register number is 3652-17-3. The IPUAC name about this chemicals is 5-pyridin-4-yl-1H-1,2,4-triazol-3-amine . The index of refraction about it is 1.686, molar refractivity is 43.78 cm3 , molar volume is 114.9 cm3 and surface tension is 84.3 dyne/cm, also, it have other chemical properties, for example, the enthalpy of vaporization about this chemicals is 74.08 kJ/mol, vapour pressure is 2.91E-09 mmHg at 25°C and so on. Classification Code about it is Drug / Therapeutic Agent.
By isonicotinic acid react with amino-guanidine and hydrogen sulfate can get 5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine .Also this chemicals react with 3-(4-methoxy-phenyl)-acrylic acid methyl ester can get 7-(4-methoxy-phenyl)-2-pyridin-4-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
This chemicals can be described computed from structure:
1) Canonical SMILES: C1=CN=CC=C1C2=NC(=NN2)N
2) InChI: InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4H,(H3,8,10,11,12)
3) InChIKey: PHYOJNNPPUPKEA-UHFFFAOYSA-N
The most important thing about 5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine is the toxicity, following is the form:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 276mg/kg (276mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 471, 1972. |
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