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15795-39-8

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Basic Information
CAS No.: 15795-39-8
Name: 1-METHYL-1H-1,2,4-TRIAZOLE-5-AMINE
Article Data: 10
Molecular Structure:
Molecular Structure of 15795-39-8 (1-METHYL-1H-1,2,4-TRIAZOLE-5-AMINE)
Formula: C3H6N4
Molecular Weight: 98.1074
Synonyms: 1H-1,2,4-Triazole,5-amino-1-methyl- (7CI,8CI);1-Methyl-5-amino-1,2,4-triazole;5-Amino-1-methyl-1,2,4-triazole;1-Methyl-1H-1,2,4-triazol-5-amine;
Density: 1.44 g/cm3
Boiling Point: 281.9 °C at 760 mmHg
Flash Point: 124.3 °C
PSA: 56.73000
LogP: -0.02150
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Specification

The 1H-1,2,4-Triazol-5-amine,1-methyl-, with the CAS registry number 15795-39-8, is also known as 5-Amino-1-methyl-1,2,4-triazole. This chemical's molecular formula is C3H6N4 and molecular weight is 98.11. What's more, its systematic name is 1-methyl-1H-1,2,4-triazol-5-amine.

Physical properties of 1H-1,2,4-Triazol-5-amine,1-methyl- are: (1)ACD/LogP: -1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -1.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.98; (8)ACD/KOC (pH 7.4): 5.81; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.95 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 25.61 cm3; (15)Molar Volume: 67.9 cm3; (16)Polarizability: 10.15×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 124.3 °C; (20)Enthalpy of Vaporization: 52.07 kJ/mol; (21)Boiling Point: 281.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00347 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cnn(c1N)C
(2)InChI: InChI=1S/C3H6N4/c1-7-3(4)5-2-6-7/h2H,1H3,(H2,4,5,6)
(3)InChIKey: XBTDXUGMCUNQDP-UHFFFAOYSA-N