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1H-[1,2,4]Triazole-3-carboxylic acid hydrazide

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Name

1H-[1,2,4]Triazole-3-carboxylic acid hydrazide

EINECS N/A
CAS No. 21732-98-9 Density 1.555 g/cm3
PSA 96.69000 LogP -0.50060
Solubility N/A Melting Point N/A
Formula C3H5N5O Boiling Point N/A
Molecular Weight 127.106 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 21732-98-9 (1H-[1,2,4]Triazole-3-carboxylic acid hydrazide) Hazard Symbols N/A
Synonyms

s-Triazole-3-carboxylic acid, hydrazide (7CI,8CI);IF337;1H-1,2,4-Triazole-3-carboxylicacid, hydrazide (9CI);

Article Data 3

1H-[1,2,4]Triazole-3-carboxylic acid hydrazide 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

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