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CAS No.: | 5711-73-9 |
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Name: | 5-PYRIDIN-3-YL-1,3,4-OXADIAZOL-2-YLAMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H6N4O |
Molecular Weight: | 162.151 |
Synonyms: | Pyridine,3-(5-amino-1,3,4-oxadiazol-2-yl)- (7CI,8CI);3-(5-Amino-1,3,4-oxadiazol-2-yl)pyridine;5-(Pyridin-3-yl)-1,3,4-oxadiazol-2-amine;5-(3-Pyridyl)-1,3,4-oxadiazol-2-amine;4-Oxadiazole,2-amino-5-(3-pyridyl)-3; |
Density: | 1.357 g/cm3 |
Melting Point: | 230-233 °C |
Boiling Point: | 375.1 °C at 760 mmHg |
Flash Point: | 180.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 77.83000 |
LogP: | 1.29500 |
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The 1,3,4-Oxadiazol-2-amine,5-(3-pyridinyl)-, with the CAS registry number 5711-73-9, is also known as 3-(5-Amino-1,3,4-oxadiazol-2-yl)pyridine. This chemical's molecular formula is C7H6N4O and molecular weight is 162.15. What's more, its systematic name is 5-(Pyridin-3-yl)-1,3,4-oxadiazol-2-amine. Its classification code is Drug / Therapeutic Agent.
Physical properties of 1,3,4-Oxadiazol-2-amine,5-(3-pyridinyl)- are: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.46; (8)ACD/KOC (pH 7.4): 22.47; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 41.65 cm3; (15)Molar Volume: 119.4 cm3; (16)Polarizability: 16.51×10-24cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 180.7 °C; (20)Enthalpy of Vaporization: 62.26 kJ/mol; (21)Boiling Point: 375.1 °C at 760 mmHg; (22)Vapour Pressure: 7.96E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CN=C1)C2=NN=C(O2)N
(2)InChI: InChI=1S/C7H6N4O/c8-7-11-10-6(12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,11)
(3)InChIKey: JMAJFOJPCCULLE-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1290mg/kg (1290mg/kg) | Journal of Medicinal Chemistry. Vol. 9, Pg. 478, 1966. |