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1H-1,2,4-Triazol-5-amine,3-(2-pyridinylmethyl)- (83417-24-7)

Identification
Name:1H-1,2,4-Triazol-5-amine,3-(2-pyridinylmethyl)-
Synonyms:1H-1,2,4-Triazol-3-amine,5-(2-pyridinylmethyl)- (9CI);5-(Pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-amine;
CAS:83417-24-7
Molecular Formula: C8H9N5
Molecular Weight: 175.19
InChI: InChI=1/C8H9N5/c9-8-11-7(12-13-8)5-6-3-1-2-4-10-6/h1-4H,5H2,(H3,9,11,12,13)
Molecular Structure: (C8H9N5) 1H-1,2,4-Triazol-3-amine,5-(2-pyridinylmethyl)- (9CI);5-(Pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-amin...
Properties
Density:1.356
Refractive index:1.674
Specification:

The ,5-(Pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-amine its cas register number is 83417-24-7. It also can be called as 1H-1,2,4-Triazol-5-amine,3-(2-pyridinylmethyl)- and the Systematic name about this chemical is 5-(pyridin-2-ylmethyl)-1H-1,2,4-triazol-3-amine.

Physical properties about 5-(Pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-amine are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.62; (4)ACD/KOC (pH 7.4): 9.8; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 80.48Å2; (9)Index of Refraction: 1.674; (10)Molar Refractivity: 48.51 cm3; (11)Molar Volume: 129.1 cm3; (12)Polarizability: 19.23x10-24cm3; (13)Surface Tension: 80 dyne/cm; (14)Enthalpy of Vaporization: 71.91 kJ/mol; (15)Vapour Pressure: 1.34E-08 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)Cc2[nH]nc(n2)N
(2)InChI: InChI=1/C8H9N5/c9-8-11-7(12-13-8)5-6-3-1-2-4-10-6/h1-4H,5H2,(H3,9,11,12,13)
(3)InChIKey: NKSXTZQHEAIDSX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H9N5/c9-8-11-7(12-13-8)5-6-3-1-2-4-10-6/h1-4H,5H2,(H3,9,11,12,13)
(5)Std. InChIKey: NKSXTZQHEAIDSX-UHFFFAOYSA-N

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