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Pyrimido[5,4-e]-1,2,4-triazine-3,5-dione, 1,2-dihydro-

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Name

Pyrimido[5,4-e]-1,2,4-triazine-3,5-dione, 1,2-dihydro-

EINECS N/A
CAS No. 54185-68-1 Density 2.22 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C5H3N5O2 Boiling Point N/A
Molecular Weight 165.111 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54185-68-1 (1,2-dihydropyrimido[5,4-e][1,2,4]triazine-3,5-dione) Hazard Symbols N/A
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;

 

Pyrimido[5,4-e]-1,2,4-triazine-3,5-dione, 1,2-dihydro- Specification

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

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