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| CAS No.: | 21732-98-9 |
|---|---|
| Name: | 1H-[1,2,4]Triazole-3-carboxylic acid hydrazide |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C3H5N5O |
| Molecular Weight: | 127.106 |
| Synonyms: | s-Triazole-3-carboxylic acid, hydrazide (7CI,8CI);IF337;1H-1,2,4-Triazole-3-carboxylicacid, hydrazide (9CI); |
| Density: | 1.555 g/cm3 |
| PSA: | 96.69000 |
| LogP: | -0.50060 |
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Specification
The 1H-1,2,4-Triazole-5-carboxylicacid, hydrazide, with CAS registry number 21732-98-9, has the systematic name of 1H-1,2,4-triazole-5-carbohydrazide. Besides this, it is also called 1H-[1,2,4]Triazole-3-carboxylic acid hydrazide. And the chemical formula of this chemical is C3H5N5O.
Physical properties of 1H-1,2,4-Triazole-5-carboxylicacid, hydrazide: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -1.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.47; (8)ACD/KOC (pH 7.4): 2.12; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.26 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 29.39 cm3; (15)Molar Volume: 81.7 cm3; (16)Polarizability: 11.65×10-24cm3; (17)Surface Tension: 98.6 dyne/cm; (18)Density: 1.555 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN)c1ncnn1
(2)InChI: InChI=1/C3H5N5O/c4-7-3(9)2-5-1-6-8-2/h1H,4H2,(H,7,9)(H,5,6,8)
(3)InChIKey: BKTBECSWYCHYID-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C3H5N5O/c4-7-3(9)2-5-1-6-8-2/h1H,4H2,(H,7,9)(H,5,6,8)
(5)Std. InChIKey: BKTBECSWYCHYID-UHFFFAOYSA-N