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Name |
1,2,4-Triazolo[4,3-a]pyridine |
EINECS | N/A |
CAS No. | 274-80-6 | Density | 1.29 g/cm3 |
PSA | 30.19000 | LogP | 0.72930 |
Solubility | N/A | Melting Point |
36-38 °C |
Formula | C6H5N3 | Boiling Point | 218 °C(Press: 6 Torr) |
Molecular Weight | 119.126 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
s-Triazolo[4,3-a]pyridine(6CI,7CI,8CI);1,2,3a-Triazaindene;1,2-Diazaindolizine;NSC 68457;Pyrido[2,1-c]-1,2,4-triazole;Pyrido[2,1-c]-s-triazole; |
Article Data | 13 |
This chemical is called 1,2,4-Triazolo[4,3-a]pyridine, and it's also named as 1,2-diazaindolizine. With the molecular formula of C6H5N3, its molecular weight is 119.124 . The CAS registry number of this chemical is 274-80-6.
Other characteristics of the 1,2,4-Triazolo[4,3-a]pyridine can be summarised as followings: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.93; (6)ACD/BCF (pH 7.4): 1.94; (7)ACD/KOC (pH 5.5): 55.64; (8)ACD/KOC (pH 7.4): 56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 35.15 cm3; (15)Molar Volume: 92 cm3; (16)Polarizability: 13.93×10-24cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.29 g/cm3.
Uses of this chemical: The 1,2,4-Triazolo[4,3-a]pyridine could react with butynedioic acid dimethyl ester to obtain the 3-[1,2,4]triazolo[4,3-a]pyridin-3-yl-propynal. This reaction needs the catalyst of 5percent palladium-carbon, and the solvent of toluene. The yield is 48 %. In addition, this reaction should be taken for 24 hours. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: n2nc1ccccn1c2
2.InChI: InChI=1/C6H5N3/c1-2-4-9-5-7-8-6(9)3-1/h1-5H
3.InChIKey: AYSYSOQSKKDJJY-UHFFFAOYAG