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1H-1,2,4-Triazol-5-amine,3-(2-methoxyphenyl)- (303192-36-1)

Identification
Name:1H-1,2,4-Triazol-5-amine,3-(2-methoxyphenyl)-
Synonyms:1H-1,2,4-Triazol-3-amine,5-(2-methoxyphenyl)- (9CI);5-(2-Methoxyphenyl)-4H-1,2,4-triazol-3-amine;
CAS:303192-36-1
Molecular Formula: C9H10N4O
Molecular Weight: 190.20
InChI: InChI=1/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
Molecular Structure: (C9H10N4O) 1H-1,2,4-Triazol-3-amine,5-(2-methoxyphenyl)- (9CI);5-(2-Methoxyphenyl)-4H-1,2,4-triazol-3-amine;
Properties
Density:1.304
Refractive index:1.637
Specification:

The 5-(2-Methoxyphenyl)-4H-1,2,4-triazol-3-amine, with CAS registry number 303192-36-1, has the systematic name of 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine. Besides this, it is also called 4H-1,2,4-Triazol-3-amine, 5-(2-methoxyphenyl)-. And the chemical formula of this chemical is C9H10N4O.

Physical properties about this chemical are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 2.98; (7)ACD/KOC (pH 5.5): 74.49; (8)ACD/KOC (pH 7.4): 75.99; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.18 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 52.37 cm3; (15)Molar Volume: 145.7 cm3; (16)Polarizability: 20.76 ×10-24cm3; (17)Surface Tension: 63.2 dyne/cm; (18)Enthalpy of Vaporization: 71.47 kJ/mol; (19)Vapour Pressure: 1.81E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nnc1c2c(OC)cccc2)N
(2)InChI: InChI=1/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
(3)InChIKey: VPYFFIZLDRLOFQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
(5)Std. InChIKey: VPYFFIZLDRLOFQ-UHFFFAOYSA-N

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