Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,2,4-Triazolo[4,3-a]pyridin-3-amine |
EINECS | N/A |
CAS No. | 767-62-4 | Density | 1.5 g/cm3 |
PSA | 56.21000 | LogP | 0.89270 |
Solubility | N/A | Melting Point |
226-232°C |
Formula | C6H6N4 | Boiling Point | N/A |
Molecular Weight | 134.14 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
s-Triazolo[4,3-a]pyridine,3-amino- (7CI,8CI);NSC 76010;(1,2,4)Triazolo(4,3-a)pyridin-3(2H)-imine;{s-Triazolo[4,3-a]pyridine,} 3-amino-;1,2,4-Triazolo[4, 3-a]pyridin-3-amine; |
Article Data | 5 |
The 1,2,4-Triazolo[4,3-a]pyridin-3-amine, with the cas registry number 767-62-4, is also called (1,2,4)Triazolo(4,3-a)pyridin-3(2H)-imine. And the molecular formula of the chemical is C6H6N4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.41; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.2; (6)ACD/KOC (pH 5.5): 14.64; (7)ACD/KOC (pH 7.4): 39.52; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 33.43 Å2; (12)Index of Refraction: 1.773; (13)Molar Refractivity: 37.07 cm3; (14)Molar Volume: 88.9 cm3; (15)Polarizability: 14.69×10-24cm3; (16)Surface Tension: 70 dyne/cm; (17)Density: 1.5 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2nc1ccccn1c2N
(2)InChI: InChI=1/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)
(3)InChIKey: NCZQAIFOXJOCFI-UHFFFAOYAJ