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| CAS No.: | 271-80-7 |
|---|---|
| Name: | 1H-Pyrazolo[3,4-d]pyrimidine |
| Molecular Structure: | |
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| Formula: | C5H4N4 |
| Molecular Weight: | 120.114 |
| Synonyms: | 1H-PYRAZOLO[3,4-D]PYRIMIDINE;1H-Pyrazolo[3,4-d]pyrimidine (6CI,8CI,9CI);pyrazolo(3,4-d)pyrimidine |
| Density: | 1.472g/cm3 |
| Melting Point: | 213-214 °C |
| Boiling Point: | 312.5°C at 760 mmHg |
| Flash Point: | 158.7°C |
| PSA: | 54.46000 |
| LogP: | 0.35290 |
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Specification
The 1H-Pyrazolo[3,4-d]pyrimidine has CAS registry number 271-80-7. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H4N4 and molecular weight is 120.11. What's more, its IUPAC name is 1H-pyrazolo[3,4-d]pyrimidine.
Physical properties of 1H-Pyrazolo[3,4-d]pyrimidine are: (1)ACD/LogP: -0.742; (2)ACD/LogD (pH 5.5): -0.74; (3)ACD/LogD (pH 7.4): -0.74; (4)#H bond acceptors: 4; (5)#Freely Rotating Bonds: 0; (6)#H bond donors: 1; (7)Polar Surface Area: 43.6.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc2c(nc1)nnc2
(2)Std. InChI: InChI=1S/C5H4N4/c1-4-2-8-9-5(4)7-3-6-1/h1-3H,(H,6,7,8,9)
(3)Std. InChIKey: QUKPALAWEPMWOS-UHFFFAOYSA-N