1,3,4-Oxadiazol-2-amine,5-(3-pyridinyl)- supplier

Name
5-PYRIDIN-3-YL-1,3,4-OXADIAZOL-2-YLAMINE
EINECS
CAS No. 5711-73-9
Article Data3
CAS DataBase
Density 1.357 g/cm³
Solubility
Melting Point 230-233 °C
Formula C₇H₆N₄O
Boiling Point 375.1 °C at 760 mmHg
Molecular Weight 162.151
Flash Point 180.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
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;
PSA 77.83000
LogP 1.29500

1,3,4-Oxadiazol-2-amine,5-(3-pyridinyl)- Specification

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.

Product Name

5-PYRIDIN-3-YL-1,3,4-OXADIAZOL-2-YLAMINE

1,3,4-Oxadiazol-2-amine,5-(3-pyridinyl)- Specification

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