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CAS No.: | 20271-38-9 |
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Name: | 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H10N6O |
Molecular Weight: | 218.218 |
Synonyms: | 5-Amino-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide; |
Density: | 1.6 g/cm3 |
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The 5-Amino-1-phenyl-triazole-4-carbohydrazide, with the CAS registry number 20271-38-9, is also known as 5-Amino-1-phenyl-1H-1, 2, 3-triazole-4-carbohydrazide. This chemical's molecular formula is C9H10N6O and molecular weight is 218.22. What's more, its IUPAC name is 5-Amino-1-phenyltriazole-4-carbohydrazide.
Physical properties about 5-Amino-1-phenyl-triazole-4-carbohydrazide are: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 57.5 Å2; (7)Index of Refraction: 1.771; (8)Molar Refractivity: 56.72 cm3; (9)Molar Volume: 136.2 cm3; (10)Polarizability: 22.48×10-24 cm3; (11)Surface Tension: 78.5 dyne/cm; (12)Density: 1.6 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2nnn(c1ccccc1)c2N)NN
(2) InChI: InChI=1/C9H10N6O/c10-8-7(9(16)12-11)13-14-15(8)6-4-2-1-3-5-6/h1-5H,10-11H2,(H,12,16)
(3) InChIKey: HTDFXYPRHOAYRG-UHFFFAOYAS