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3652-17-3

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Basic Information
CAS No.: 3652-17-3
Name: 5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine
Article Data: 19
Molecular Structure:
Molecular Structure of 3652-17-3 (5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-amine)
Formula: C7H7N5
Molecular Weight: 161.166
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;
Density: 1.45 g/cm3
Melting Point: 272-274 °C
Boiling Point: 477 °C at 760 mmHg
Flash Point: 273.7 °C
PSA: 80.48000
LogP: 1.03010
Related products
Synthetic route

C7H9N5O

3652-17-3

3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 210℃; for 2h;90%
54-85-3

isoniazid

17356-08-0

thiourea

3652-17-3

3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine

Conditions
ConditionsYield
With potassium carbonate; dimethyl sulfate In water at 50℃; for 18h; Green chemistry;87%
4427-16-1

isonicotinic acid 2-amidinohydrazide

3652-17-3

3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine

Conditions
ConditionsYield
at 230℃; for 0.166667h;
54-85-3

isoniazid

(+-)-3-methyl-2-phthalimido-butyraldehyde

(+-)-3-methyl-2-phthalimido-butyraldehyde

3652-17-3

3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
637-57-0

p-nitrocinnamic acid methyl ester

3652-17-3

3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine

7-(4-nitro-phenyl)-2-pyridin-4-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Conditions
ConditionsYield
at 210℃; for 2h;92%
98-88-4

benzoyl chloride

3652-17-3

3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine

(5-amino-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl)(phenyl)-methanone

Conditions
ConditionsYield
With pyridine In tetrahydrofuran at 0 - 20℃; for 6h; regioselective reaction;87%
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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.