Products Categories
CAS No.: | 202065-25-6 |
---|---|
Name: | [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C6H4N4O2 |
Molecular Weight: | 164.123 |
Synonyms: | 8-Hydro-1,2,4-triazolo[1,5-A]pyrimidine-2-carboxylic acid; |
Density: | 1.792 g/cm3 |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
What can I do for you?
Get Best Price
The [1,2,4]Triazolo[1,5-A]pyrimidine-2-carboxylicacid, with the CAS registry number 202065-25-6, is also known as 8-Hydro-1,2,4-triazolo[1,5-A]pyrimidine-2-carboxylic acid. This chemical's molecular formula is C6H4N4O2 and molecular weight is 164.12. What's more, both its IUPAC name and systematic name are the same which is called [1,2,4]Triazolo[1,5-A]pyrimidine-2-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about [1,2,4]Triazolo[1,5-A]pyrimidine-2-carboxylicacid are: (1) ACD/LogP: -0.94; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -4.09; (4) ACD/LogD (pH 7.4): -4.09; (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: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 69.38 Å2; (13) Index of Refraction: 1.821; (14) Molar Refractivity: 39.91 cm3; (15) Molar Volume: 91.5 cm3; (16) Surface Tension: 88.9 dyne/cm; (17) Density: 1.79 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1nc2ncccn2n1
(2) InChI: InChI=1/C6H4N4O2/c11-5(12)4-8-6-7-2-1-3-10(6)9-4/h1-3H,(H,11,12)
(3) InChIKey: SIJYLNWLBGNWSS-UHFFFAOYAP