Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Amino-1,2,4-triazine-3,5(2H,4H)-dione |
EINECS | 242-589-9 |
CAS No. | 18802-38-5 | Density | 2.22g/cm3 |
PSA | 104.63000 | LogP | -1.37840 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H4N4O2 | Boiling Point | N/A |
Molecular Weight | 128.09 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
as-Triazine-3,5(2H,4H)-dione,6-amino- (6CI,8CI);5-Amino-6-azauracil; |
Article Data | 8 |
The 6-Amino-1,2,4-triazine-3,5(2H,4H)-dione with the cas number 18802-38-5 is also called 1,2,4-Triazine-3,5(2H,4H)-dione,6-amino-. The IUPAC name is 6-amino-2H-1,2,4-triazine-3,5-dione. Its EINECS registry number is 242-589-9. The molecular formula is C3H4N4O2. This chemical belongs to the following product categories: (1)Amines; (2)Ring Systems.
The properties of the chemical are: (1)ACD/LogP: -2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.75; (4)ACD/LogD (pH 7.4): -4.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 56.22 Å2; (13)Index of Refraction: 1.891; (14)Molar Refractivity: 26.59 cm3; (15)Molar Volume: 57.5 cm3; (16)Polarizability: 10.54×10-24cm3; (17)Surface Tension: 126.8 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(=N/NC(=O)N1)\N
(2)InChI: InChI=1/C3H4N4O2/c4-1-2(8)5-3(9)7-6-1/h(H2,4,6)(H2,5,7,8,9)
(3)InChIKey: GFJDLRANNRSMCK-UHFFFAOYAJ