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1,2,4-Triazolo[4,3-a]pyridine

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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 Molecular Structure of 274-80-6 (1,7,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene) 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

1,2,4-Triazolo[4,3-a]pyridine Specification

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.

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

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

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