Name: 5-CYCLOBUTYL-4H-1,2,4-TRIAZOL-3-YLAMINE
SKU: 496057-24-0

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Basic Information

Molecular Structure:
CAS No.:	496057-24-0
Name:	5-CYCLOBUTYL-4H-1,2,4-TRIAZOL-3-YLAMINE

Formula:	C₆H₁₀N₄
Molecular Weight:	138.17
Synonyms:	1H-1,2,4-Triazol-3-amine,5-cyclobutyl- (9CI);5-Cyclobutyl-1,2,4-triazol-3-amine;3-Amino-5-cyclobutyl-4H-1,2,4-triazole;5-cyclobutyl-1H-1,2,4-triazol-3-amine;
Density:	1.351 g/cm³
Melting Point:	153 °C
Boiling Point:	379.6 °C at 760 mmHg
Flash Point:	211.4 °C
PSA:	67.59000
LogP:	1.23560

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Specification

The 1H-1,2,4-Triazol-5-amine,3-cyclobutyl-, with the CAS registry number 496057-24-0, is also known as 3-Amino-5-cyclobutyl-4H-1,2,4-triazole. It belongs to the product category of Amineprimary. This chemical's molecular formula is C₆H₁₀N₄ and molecular weight is 138.17. What's more, its systematic name is 5-cyclobutyl-1H-1,2,4-triazol-3-amine.

Physical properties of 1H-1,2,4-Triazol-5-amine,3-cyclobutyl- are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.02; (8)ACD/KOC (pH 7.4): 22.02; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.95 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 37.74 cm³; (15)Molar Volume: 102.2 cm³; (16)Polarizability: 14.96×10^-24cm³; (17)Surface Tension: 81.6 dyne/cm; (18)Density: 1.351 g/cm³; (19)Flash Point: 211.4 °C; (20)Enthalpy of Vaporization: 62.76 kJ/mol; (21)Boiling Point: 379.6 °C at 760 mmHg; (22)Vapour Pressure: 5.79E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(C1)C2=NC(=NN2)N
(2)InChI: InChI=1S/C6H10N4/c7-6-8-5(9-10-6)4-2-1-3-4/h4H,1-3H2,(H3,7,8,9,10)
(3)InChIKey: FZFDWTMNAIGNKZ-UHFFFAOYSA-N