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| CAS No.: | 29274-23-5 |
|---|---|
| Name: | 4H-PYRAZOLO[1,5-A]PYRIMIDIN-7-ONE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H5N3O |
| Molecular Weight: | 135.125 |
| Synonyms: | Pyrazolo[1,5-a]pyrimidin-7-one; |
| Density: | 1.511 g/cm3 |
| Boiling Point: | 297.644 °C at 760 mmHg |
| Flash Point: | 133.811 °C |
| PSA: | 50.42000 |
| LogP: | 0.43490 |
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Specification
The systematic name of this chemical is pyrazolo[1,5-a]pyrimidin-7(4H)-one and the CAS registry number is 29274-23-5. It is an organic compound with the formula C6H5N3O. The molecular weight is 135.13. In addition, people should be careful when using this chemical.
The other characteristics of Pyrazolo[1,5-a]pyrimidin-7(4H)-one can be summarized as: (1)ACD/LogP: 0.26; (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): 7; (6)ACD/KOC (pH 7.4): 7; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 46.92 Å2; (11)Index of Refraction: 1.739; (12)Molar Refractivity: 36.01 cm3; (13)Molar Volume: 89.418 cm3; (14)Polarizability: 14.276×10-24 cm3; (15)Surface Tension: 66.89 dyne/cm; (16)Density: 1.511 g/cm3; (17)Flash Point: 133.811 °C; (18)Enthalpy of Vaporization: 53.751 kJ/mol; (19)Boiling Point: 297.644 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C2/C=C\Nc1ccnn12
2. InChI:InChI=1/C6H5N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,7H
3. InChIKey:NOSYRIKBTPXMRH-UHFFFAOYAR
4. Std. InChI:InChI=1S/C6H5N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,7H
5. Std. InChIKey:NOSYRIKBTPXMRH-UHFFFAOYSA-N