3H-1,2,4-Triazol-3-one,5-amino-1,2-dihydro- supplier

Name
5-Amino-2,4-dihydro-[1,2,4]triazol-3-one
EINECS
CAS No. 1003-35-6
Article Data7
CAS DataBase
Density 2.27 g/cm³
Solubility
Melting Point 286-290 °C (decomp)
Formula C₂H₄N₄O
Boiling Point 548.1 °C at 760 mmHg
Molecular Weight 100.08
Flash Point 285.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms s-Triazol-3-ol,5-amino- (6CI);D2-1,2,4-Triazolin-5-one,3-amino- (7CI,8CI);3-Amino-5-hydroxy-1,2,4-triazole;5-Amino-2,4-dihydro-3H-1,2,4-triazol-3-one;NSC 138436;
PSA 87.56000
LogP -0.73860

3H-1,2,4-Triazol-3-one,5-amino-1,2-dihydro- Specification

The 3H-1,2,4-Triazol-3-one,5-amino-1,2-dihydro-, with the CAS registry number 1003-35-6, is also known as 5-Amino-2,4-dihydro-[1,2,4]triazol-3-one. This chemical's molecular formula is C₂H₄N₄O and molecular weight is 100.0794. What's more, its systematic name is 5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one.

Physical properties about 3H-1,2,4-Triazol-3-one,5-amino-1,2-dihydro- are: (1)ACD/LogP: -2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.99; (6)ACD/KOC (pH 7.4): 2.49; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 39.15 Å²; (11)Index of Refraction: 1.944; (12)Molar Refractivity: 21.13 cm³; (13)Molar Volume: 43.9 cm³; (14)Polarizability: 8.37×10^-24 cm³; (15)Surface Tension: 131.8 dyne/cm; (16)Density: 2.27 g/cm³; (17)Flash Point: 285.3 °C; (18)Enthalpy of Vaporization: 85.86 kJ/mol; (19)Boiling Point: 548.1 °C at 760 mmHg; (20)Vapour Pressure: 1.26E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/N=C(/N)NN1
(2) InChI: InChI=1/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
(3) InChIKey: XOHBRLLZSIGHDE-UHFFFAOYAE

Product Name

5-Amino-2,4-dihydro-[1,2,4]triazol-3-one

3H-1,2,4-Triazol-3-one,5-amino-1,2-dihydro- Specification

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