Imidazo[4,5-d][1,3]diazepin-8(3H)-one,4,7-dihydro- (72079-77-7)

The CAS register number of 4,7-Dihydroimidazole[4,5-d][1,3]diazepine-8(1H)-one is 72079-77-7. It also can be called as Imidazo[4,5-d][1,3]diazepin-8(3H)-one,4,7-dihydro- and the systematic name about this chemical is 4,7-dihydroimidazo[4,5-d][1,3]diazepin-8(1H)-one. The molecular formula about this chemical is C₆H₆N₄O and the molecular weight is 150.14.

Physical properties about 4,7-Dihydroimidazole[4,5-d][1,3]diazepine-8(1H)-one are: (1)ACD/LogP: -2.16; (2)ACD/LogD (pH 5.5): -2.2; (3)ACD/LogD (pH 7.4): -2.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.44; (7)ACD/KOC (pH 7.4): 1.6; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)Polar Surface Area: 50.49Ų; (11)Index of Refraction: 1.814; (12)Molar Refractivity: 38.16 cm³; (13)Molar Volume: 88.1 cm³; (14)Polarizability: 15.12x10^-24cm³; (15)Surface Tension: 77 dyne/cm; (16)Enthalpy of Vaporization: 75.17 kJ/mol; (17)Boiling Point: 486 °C at 760 mmHg; (18)Vapour Pressure: 1.34E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ncnc1N\C=N/C2
(2)InChI: InChI=1/C6H6N4O/c11-4-1-7-2-9-6-5(4)8-3-10-6/h2-3H,1H2,(H,7,9)(H,8,10)
(3)InChIKey: ASIWDXWEDFFGPK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H6N4O/c11-4-1-7-2-9-6-5(4)8-3-10-6/h2-3H,1H2,(H,7,9)(H,8,10)
(5)Std. InChIKey: ASIWDXWEDFFGPK-UHFFFAOYSA-N