CAS No.837430-14-5,5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	837430-14-5
Name:	5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

Formula:	C₅ H₈ N₄ . Cl H
Molecular Weight:	160.606
Synonyms:	1,2,4-Triazolo[4,3-a]pyrazine,5,6,7,8-tetrahydro-, monohydrochloride (9CI);5,6,7,8-Tetrahydro-1,2,4-triazolo[4,3-a]pyrazinehydrochloride;5,6,7,8-Tetrahydro[1,2,4]triazolo[4,3-a]pyrazinemonohydrochloride;
Density:	1.539g/cm³
Boiling Point:	319.763 °C at 760 mmHg
Flash Point:	147.187 °C
PSA:	42.74000
LogP:	-0.28990

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Specification

The 5,6,7,8-Tetrahydro[1,2,4]triazolo[4,3-a]pyrazine with cas registry number of 837430-14-5, is also named 1,2,4-Triazolo[4,3-a]pyrazine,5,6,7,8-tetrahydro-, monohydrochloride (9CI) ; 5,6,7,8-Tetrahydro[1,2,4]triazolo[4,3-a]pyrazinemonohydrochloride .

Physical properties of 5,6,7,8-Tetrahydro[1,2,4]triazolo[4,3-a]pyrazine :(1)ACD/LogP: -2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 42.74 Å²; (11)Index of Refraction: 1.773; (12)Molar Refractivity: 33.604 cm³; (13)Molar Volume: 80.663 cm³; (14)Polarizability: 13.322×10^-24cm³; (15)Surface Tension: 67.497 dyne/cm; (16)Enthalpy of Vaporization: 56.138 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:c1nnc2n1CCNC2; (2)InChI:InChI=1/C5H8N4/c1-2-9-4-7-8-5(9)3-6-1/h4,6H,1-3H2; (3)InChIKey:UMEIYBJBGZKZOS-UHFFFAOYAI; (4)Std. InChI:InChI=1S/C5H8N4/c1-2-9-4-7-8-5(9)3-6-1/h4,6H,1-3H2; (5)Std. InChIKey:UMEIYBJBGZKZOS-UHFFFAOYSA-N.