5H-Pyrrolo[2,3-b]pyrazine (4745-93-1)

The cas register number of 4,7-Diazaindole is 4745-93-1. It also can be called as 5H-Pyrrolo[2,3-b]pyrazine and the IUPAC Name about this chemical is 5H-pyrrolo[2,3-b]pyrazine. It belongs to the Heterocycles series.

Physical properties about 4,7-Diazaindole are: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 5.5): 0.86; (3)ACD/LogD (pH 7.4): 0.861; (4)ACD/BCF (pH 5.5): 2.648; (5)ACD/BCF (pH 7.4): 2.655; (6)ACD/KOC (pH 5.5): 69.831; (7)ACD/KOC (pH 7.4): 70.008; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.57Ų; (11)Index of Refraction: 1.715; (12)Molar Refractivity: 34.711 cm³; (13)Molar Volume: 88.319 cm³; (14)Polarizability: 13.761x10^-24cm³; (15)Surface Tension: 73.965 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1nccn2
(2)InChI: InChI=1/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)
(3)InChIKey: HFTVJMFWJUFBNO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)
(5)Std. InChIKey: HFTVJMFWJUFBNO-UHFFFAOYSA-N