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CAS No.: | 58910-25-1 |
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Name: | 4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H9N3O |
Molecular Weight: | 127.146 |
Synonyms: | 4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one;4-ethyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one; |
Density: | 1.27 g/cm3 |
PSA: | 50.68000 |
LogP: | -0.10030 |
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The 4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one with the CAS number 58910-25-1 is also called 3H-1,2,4-Triazol-3-one,4-ethyl-2,4-dihydro-5-methyl-. The systematic name is 4-ethyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one. Its molecular formula is C5H9N3O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.83; (5)ACD/KOC (pH 7.4): 4.92; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 44.7 Å2; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 33.58 cm3; (12)Molar Volume: 100 cm3; (13)Polarizability: 13.31×10-24cm3; (14)Surface Tension: 43.5 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: C\C1=N\NC(=O)N1CC
(2)InChI: InChI=1/C5H9N3O/c1-3-8-4(2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
(3)InChIKey: GROINEYGPPQQDZ-UHFFFAOYAF