3-AMINO-5,6-DIMETHYL-1,2,4-TRIAZINE

The 5,6-Dimethyl-1,2,4-triazin-3-amine, with the CAS registry number 17584-12-2 and EINECS registry number 241-552-4, has the systematic name of 5,6-dimethyl-1,2,4-triazin-3-amine. And the molecular formula of this chemical is C₅H₈N₄. It is a kind of pink to yellow-beige crystalline powder, and belongs to the following product categories: Miscellaneous; Building Blocks; Heterocyclic Building Blocks; Triazines.

The physical properties of 5,6-Dimethyl-1,2,4-triazin-3-amine are as following: (1)ACD/LogP: -0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.14; (8)ACD/KOC (pH 7.4): 10.52; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.91 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 34.41 cm³; (15)Molar Volume: 103.9 cm³; (16)Polarizability: 13.64×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.194 g/cm³; (19)Flash Point: 176.5 °C; (20)Enthalpy of Vaporization: 56.7 kJ/mol; (21)Boiling Point: 325 °C at 760 mmHg; (22)Vapour Pressure: 0.000237 mmHg at 25°C.

Uses of 5,6-Dimethyl-1,2,4-triazin-3-amine: It can react with diketene to produce 3-acetonyl-2,3,6-trimethyl-3H-pyrimido[1,2-b]-1,2,4-triazin-8(5H)-one. This reaction will need solvent acetic acid. The reaction time is 1.5 hours with temperature of 85-95°C, and the yield is about 30%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nnc(c1C)C)N
(2)InChI: InChI=1/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)
(3)InChIKey: UIKGLXJNZXSPGV-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
quail	LD50	oral	> 316mg/kg (316mg/kg)		Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.