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30169-25-6

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Basic Information
CAS No.: 30169-25-6
Name: 3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
Article Data: 22
Molecular Structure:
Molecular Structure of 30169-25-6 (3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine)
Formula: C12H14N8
Molecular Weight: 270.297
Synonyms: 3,6-Bis(3,5-dimethylpyrazolyl)-1,2,4,5-tetraazine;Bis[3,5-(dimethylpyrazolyl)]-1,2,4,5-tetrazine;s-Tetrazine, 3,6-bis(3,5-dimethylpyrazol-1-yl)- (8CI);
Density: 1.448 g/cm3
Melting Point: 216-218 °C
Boiling Point: 533.695 °C at 760 mmHg
Flash Point: 276.569 °C
PSA: 61.42000
LogP: 2.08160
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Specification

3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine, with the CAS registry number 30169-25-6, is also named as 3,6-Bis(3,5-dimethylpyrazolyl)-1,2,4,5-tetraazine.  This chemical's molecular formula is C12H14N8  and molecular weight is 270.29. What's more, its systematic name is 3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine.

Physical properties of 3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine are: (1)ACD/LogP: 2.132; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.57; (6)ACD/BCF (pH 7.4): 24.57; (7)ACD/KOC (pH 5.5): 344.23; (8)ACD/KOC (pH 7.4): 344.23; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 87.2 Å2; (13)Index of Refraction: 1.745; (14)Molar Refractivity: 75.696 cm3; (15)Molar Volume: 186.675 cm3; (16)Polarizability: 30.008×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.448 g/cm3; (19)Flash Point: 276.569 °C; (20)Enthalpy of Vaporization: 80.974 kJ/mol; (21)Boiling Point: 533.695 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nc(nnc1n2nc(cc2C)C)n3nc(cc3C)C
(2)Std. InChI: InChI=1S/C12H14N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6H,1-4H3
(3)Std. InChIKey: FPKOARNUITZHCF-UHFFFAOYSA-N