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6-Amino-1,2,4-triazine-3,5(2H,4H)-dione

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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 Molecular Structure of 18802-38-5 (6-amino-1,2,4-triazine-3,5(2H,4H)-dione) Hazard Symbols N/A
Synonyms

as-Triazine-3,5(2H,4H)-dione,6-amino- (6CI,8CI);5-Amino-6-azauracil;

Article Data 8

6-Amino-1,2,4-triazine-3,5(2H,4H)-dione Specification

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

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