5-Amino-1-(2-pyrimidinyl)pyrazole-4-carbonitrile supplier

Name
5-Amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
EINECS
CAS No. 89978-00-7
Article Data3
CAS DataBase
Density 1.516 g/cm³
Solubility
Melting Point
Formula C₈H₆N₆
Boiling Point 528.674 °C at 760 mmHg
Molecular Weight 186.176
Flash Point 273.533 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-AMINO-1-(2-PYRIMIDINYL)PYRAZOLE-4-CARBONITRILE;5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile;1H-PYRAZOLE-4-CARBONITRILE,5-AMINO-1-(2-PYRIMIDINYL);Cyanopyrazole 48A;
PSA 93.41000
LogP 0.69738

5-Amino-1-(2-pyrimidinyl)pyrazole-4-carbonitrile Specification

The 5-Amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile, with CAS registry number 89978-00-7, has the systematic name of 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile. Besides this, it is also called 5-Amino-1-(2-pyrimidinyl)pyrazole-4-carbonitrile. And the chemical formula of this chemical is C₈H₆N₆.

Physical properties of 5-Amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 93.41 Å²; (7)Index of Refraction: 1.774; (8)Molar Refractivity: 51.261 cm³; (9)Molar Volume: 122.836 cm³; (10)Polarizability: 20.321×10^-24cm³; (11)Surface Tension: 74.898 dyne/cm; (12)Density: 1.516 g/cm³; (13)Flash Point: 273.533 °C; (14)Enthalpy of Vaporization: 80.354 kJ/mol; (15)Boiling Point: 528.674 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2cnn(c1ncccn1)c2N
(2)InChI: InChI=1/C8H6N6/c9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h1-3,5H,10H2
(3)InChIKey: SIEFZVDTJZTHPL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6N6/c9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h1-3,5H,10H2
(5)Std. InChIKey: SIEFZVDTJZTHPL-UHFFFAOYSA-N

Product Name

5-Amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carbonitrile

5-Amino-1-(2-pyrimidinyl)pyrazole-4-carbonitrile Specification

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