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CAS No.: | 54185-68-1 |
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Name: | 1,2-dihydropyrimido[5,4-e][1,2,4]triazine-3,5-dione |
Molecular Structure: | |
Formula: | C5H3N5O2 |
Molecular Weight: | 165.111 |
Synonyms: | Pyrimido[5,4-e]-1,2,4-triazine-3,5-dione, 4,6-dihydro-(9CI);NSC 76803;1,2-Dihydropyrimido[5,4-e][1,2,4]triazine-3,5-dione; |
Density: | 2.22 g/cm3 |
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The Pyrimido[5,4-e]-1,2,4-triazine-3,5-dione, 1,2-dihydro- has the CAS registry number 54185-68-1. This chemical's molecular formula is C5H3N5O2 and molecular weight is 165.11. What's more, its systematic name is 1,2-Dihydropyrimido[5,4-e][1,2,4]triazine-3,5-dione.
Physical properties of Pyrimido[5,4-e]-1,2,4-triazine-3,5-dione, 1,2-dihydro- are: (1)ACD/LogP: -2.98; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 77.7 Å2; (7)Index of Refraction: 2.016; (8)Molar Refractivity: 37.45 cm3; (9)Molar Volume: 74 cm3; (10)Polarizability: 14.85×10-24cm3; (11)Surface Tension: 125.3 dyne/cm; (12)Density: 2.22 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\N=C/N=C2/NNC(=O)\N=C/12
(2)InChI: InChI=1S/C5H3N5O2/c11-4-2-3(6-1-7-4)9-10-5(12)8-2/h1H,(H,8,10,12)(H,6,7,9,11)
(3)InChIKey: LPJIMSGQKAAJES-UHFFFAOYSA-N