Structure & Deep Data of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- (C6H5N5)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- molecule contains a total of 16 bond(s). There are 11 non-H bond(s), 7 multiple bond(s), 2 triple bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 primary amine(s) (aromatic), 2 nitrile(s) (aromatic), and 1 Imidazole(s). Images of the chemical structure of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- are given below:

The 2D chemical structure image of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-

  The SMILES string of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is Cn1c(N)nc(C#N)c1C#N, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-.

• Structure Data File (SDF/MOL File) of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-

  The structure data file (SDF/MOL File) of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is available for download in the SDF page of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-, which provides the information about the atoms, bonds, connectivity and coordinates of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-. The 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-

  The molecular formula of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is available in chemical formula page of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-

  The molecular weight of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is available in molecular weight page of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-

  The 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- including the various registry numbers, if available:

  • 1-Methyl-2-amino-1H-imidazole-4,5-dicarbonitrile
  • 2-amino-1-methylimidazole-4,5-dicarbonitrile
  • 136805-41-9
  • 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-

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1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-?
C6H5N5
How many atoms and what are the elements included the 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- molecule?
16 atom(s) - 5 Hydrogen atom(s), 6 Carbon atom(s), and 5 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- structure?
16 bond(s) - 11 non-H bond(s), 7 multiple bond(s), 2 triple bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 primary amine(s) (aromatic), 2 nitrile(s) (aromatic), and 1 Imidazole(s)
What’s the 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-’s molecular weight?
147.1374 g/mol
What’s the SMILES code of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-?
Cn1c(N)nc(C#N)c1C#N
What’s the InChI string of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-?
InChI=1S/C6H5N5/c1-11-5(3-8)4(2-7)10-6(11)9/h1H3,(H2,9,10)
What’s the InChIKey code of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-?
TWBISSNIBRVTHW-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).