-
Name
6-Nitro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
- EINECS
- CAS No. 31040-15-0
- Article Data2
- CAS DataBase
- Density 1.896 g/cm3
- Solubility
- Melting Point
- Formula C6H5N5O2
- Boiling Point
- Molecular Weight 179.14
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6-Nitro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine;
- PSA 102.76000
- LogP 0.67300
6-Nitro-[1,2,4]triazolo[1,5-a]pyridin-2-amine Specification
This product is an organic compound with the formula C6H5N5O2. The systematic name of this chemical is 6-Nitro-[1,2,4]triazolo[1,5-a]pyridin-2-amine. With the CAS registry number 31040-15-0, it is also named as 6-Nitro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine. In addition, the molecular weight is 179.14.
Physical properties of 6-Nitro-[1,2,4]triazolo[1,5-a]pyridin-2-amine are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 102.03 Å2; (13)Index of Refraction: 1.865; (14)Molar Refractivity: 42.733 cm3; (15)Molar Volume: 94.481 cm3; (16)Polarizability: 16.941×10-24 cm3; (17)Surface Tension: 105.328 dyne/cm; (18)Density: 1.896 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2nc(N)nn2c1
(2)InChI: InChI=1S/C6H5N5O2/c7-6-8-5-2-1-4(11(12)13)3-10(5)9-6/h1-3H,(H2,7,9)
(3)InChIKey: DPFDCZNFMJEQCU-UHFFFAOYSA-N
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