CAS No.16328-63-5,2H-IMIDAZO[4,5-B]PYRAZIN-2-ONE, 1,3-DIHYDRO- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16328-63-5
Name:	2H-IMIDAZO[4,5-B]PYRAZIN-2-ONE, 1,3-DIHYDRO-
Article Data:	5

Formula:	C₅H₄N₄O
Molecular Weight:	136.11146
Synonyms:	1H-Imidazo[4,5-b]pyrazin-2-ol(6CI);NSC 129582;NSC 193442;NSC 217339;
Density:	1.455 g/cm³
Boiling Point:	153.4 °C at 760 mmHg
Flash Point:	46.6 °C
PSA:	74.43000
LogP:	-0.35380

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Specification

The 2H-Imidazo[4,5-b]pyrazin-2-one,1,3-dihydro- is an organic compound with the formula C₅H₄N₄O. The IUPAC name of this chemical is 1,3-Dihydroimidazo[4,5-b]pyrazin-2-one. With the CAS registry number 16328-63-5, it is also named as 1H-Imidazo[4,5-b]pyrazin-2(3H)-one. Besides, its molecular weight is 136.11146.

Physical properties about 2H-Imidazo[4,5-b]pyrazin-2-one,1,3-dihydro- are: (1)ACD/LogP: -1.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)Polar Surface Area: 49.33 Å²; (9)Index of Refraction: 1.604; (10)Molar Refractivity: 32.21 cm³; (11)Molar Volume: 93.5 cm³; (12)Polarizability: 12.77×10^-24 cm³; (13)Surface Tension: 64.5 dyne/cm; (14)Density: 1.455 g/cm³; (15)Flash Point: 46.6 °C; (16)Enthalpy of Vaporization: 39.02 kJ/mol; (17)Boiling Point: 153.4 °C at 760 mmHg; (18)Vapour Pressure: 3.33 mmHg at 25 °C.

Preparation: this chemical can be prepared by Pyrazine-2,3-diamine. This reaction will need solvent Diphenyl ether. The reaction time is 5 hours with reaction temperature of 240 °C. The yield is about 57%.

Uses of 2H-Imidazo[4,5-b]pyrazin-2-one,1,3-dihydro-: it can be used to produce 1H-Imidazo[4,5-b]pyrazine-2-thiol. It will need reagent P₂S₅, solvent Xylene with reaction time of 24 hours and solvent Pyridine with reaction time of 24 hours. This reaction will need heating. The yield is about 47%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H4N4O/c10-5-8-3-4(9-5)7-2-1-6-3/h1-2H,(H2,6,7,8,9,10)
(2)InChIKey: CGKLYWOFLUIKCX-UHFFFAOYAV
(3)Std. InChI: InChI=1S/C5H4N4O/c10-5-8-3-4(9-5)7-2-1-6-3/h1-2H,(H2,6,7,8,9,10)
(4)Std. InChIKey: CGKLYWOFLUIKCX-UHFFFAOYSA-N