1H-1,2,4-Triazole-1-carboxamide supplier

Name
1H-1,2,4-Triazole-1-carboxamide(9CI)
EINECS
CAS No. 35101-89-4
Article Data2
CAS DataBase
Density 1.69 g/cm³
Solubility
Melting Point
Formula C₃H₄N₄O
Boiling Point 325.2 °C at 760 mmHg
Molecular Weight 112.091
Flash Point 150.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Carbamoyl-1,2,4-triazole;NSC 142797;s-Triazole-1-carboxamide;
PSA 73.80000
LogP -0.09480

1H-1,2,4-Triazole-1-carboxamide Specification

The 1H-1,2,4-Triazole-1-carboxamide, with the CAS registry number 35101-89-4, is also known as 1-Carbamoyl-1,2,4-triazole. It belongs to the product category of Triazole. This chemical's molecular formula is C₃H₄N₄O and molecular weight is 112.09. What's more, its systematic name is 1H-1,2,4-triazole-1-carboxamide.

Physical properties of 1H-1,2,4-Triazole-1-carboxamide are: (1)ACD/LogP: -1.76; (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): 2.62; (6)ACD/KOC (pH 7.4): 2.62; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 51.02 Å²; (11)Index of Refraction: 1.737; (12)Molar Refractivity: 26.64 cm³; (13)Molar Volume: 66.2 cm³; (14)Polarizability: 10.56×10^-24cm³; (15)Surface Tension: 86.2 dyne/cm; (16)Density: 1.69 g/cm³; (17)Flash Point: 150.5 °C; (18)Enthalpy of Vaporization: 56.72 kJ/mol; (19)Boiling Point: 325.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000234 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)n1ncnc1
(2)InChI: InChI=1S/C3H4N4O/c4-3(8)7-2-5-1-6-7/h1-2H,(H2,4,8)
(3)InChIKey: RPJFBHRSEQTZDS-UHFFFAOYSA-N

Product Name

1H-1,2,4-Triazole-1-carboxamide(9CI)

1H-1,2,4-Triazole-1-carboxamide Specification

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