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

Name
5-(Pyridin-3-yl)-4H-1,2,4-triazol-3-amine
EINECS
CAS No. 35607-27-3
Article Data15
CAS DataBase
Density 1.401 g/cm³
Solubility
Melting Point 224-225 °C
Formula C₇H₇N₅
Boiling Point 465.9 °C at 760 mmHg
Molecular Weight 161.166
Flash Point 266.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazol-3-amine,5-(3-pyridinyl)- (9CI);Pyridine, 3-(5-amino-s-triazol-3-yl)- (8CI);3-(3-Pyridyl)-5-amino-1,2,4-triazole;3-Amino-5-(3-pyridyl)-1,2,4-triazole;
PSA 80.48000
LogP 1.03010

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

The 5-(Pyridin-3-yl)-4H-1,2,4-triazol-3-amine, with the cas registry number 35607-27-3, has the systematic name of 5-(pyridin-3-yl)-1H-1,2,4-triazol-3-amine. And the molecular formula of the chemical is C₇H₇N₅.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.12; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.58; (8)ACD/KOC (pH 7.4): 27.75; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.84 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 43.78 cm³; (15)Molar Volume: 114.9 cm³; (16)Polarizability: 17.35×10^-24cm³; (17)Surface Tension: 84.3 dyne/cm; (18)Density: 1.401 g/cm³; (19)Flash Point: 266.7 °C; (20)Enthalpy of Vaporization: 72.76 kJ/mol; (21)Boiling Point: 465.9 °C at 760 mmHg; (22)Vapour Pressure: 7.39E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cccc(c1)c2nc(nn2)N
(2)InChI: InChI=1/C7H7N5/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H3,8,10,11,12)
(3)InChIKey: USTVEFNDQUIZNC-UHFFFAOYAK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	> 300mg/kg (300mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 471, 1972.

Product Name

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

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

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