Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Pyrazolo[1,5-a]pyrimidin-7(4H)-one |
EINECS | N/A |
CAS No. | 29274-23-5 | Density | 1.511 g/cm3 |
PSA | 50.42000 | LogP | 0.43490 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5N3O | Boiling Point | 297.644 °C at 760 mmHg |
Molecular Weight | 135.125 | Flash Point | 133.811 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazolo[1,5-a]pyrimidin-7-one; |
Article Data | 11 |
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