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| CAS No.: | 57489-70-0 |
|---|---|
| Name: | Pyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dione |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C6H5N3O2 |
| Molecular Weight: | 151.125 |
| Synonyms: | Pyrazolo[1,5-a]pyrimidine-5,7-diol; |
| EINECS: | 604-604-1 |
| Density: | 1.741 g/cm3 |
| Boiling Point: | 290.61 °C at 760 mmHg |
| Flash Point: | 129.556 °C |
| PSA: | 70.65000 |
| LogP: | 0.14050 |
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- Total:19 Page 1 of 1 1
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Specification
The Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 7-hydroxy- has CAS registry number 57489-70-0, is also known as Pyrazolo[1,5-a]pyrimidine-5,7-diol. This chemical's molecular formula is C6H5N3O2 and molecular weight is 151.12. What's more, its systematic name is 7-hydroxypyrazolo[1,5-a]pyrimidin-5(4H)-one.
Physical properties of Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 7-hydroxy- are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 67.15 Å2; (11)Index of Refraction: 1.793; (12)Molar Refractivity: 36.862 cm3; (13)Molar Volume: 86.781 cm3; (14)Polarizability: 14.613×10-24cm3; (15)Surface Tension: 82.312 dyne/cm; (16)Density: 1.741 g/cm3; (17)Flash Point: 129.556 °C; (18)Enthalpy of Vaporization: 55.973 kJ/mol; (19)Boiling Point: 290.61 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2Nc1ccnn1C(/O)=C/2
(2)Std. InChI: InChI=1S/C6H5N3O2/c10-5-3-6(11)9-4(8-5)1-2-7-9/h1-3,11H,(H,8,10)
(3)Std. InChIKey: SLHCRNWCKCTZMF-UHFFFAOYSA-N