SDF/Mol File of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- (C6H5N5)

Structure Data File (SDF/MOL File) Description

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

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

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is available in chemical structure page of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

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

  The chemical formula of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is given 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.

• InChI (IUPAC International Chemical Identifier) information of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is:

  InChI=1S/C6H5N5/c1-11-5(3-8)4(2-7)10-6(11)9/h1H3,(H2,9,10)

  It can provide a standard way to encode the molecular information of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- is:

  InChIKey=TWBISSNIBRVTHW-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-, but it needs to be linked to the full InChI to get back to the original structure of the 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- since the full standard InChI cannot be reconstructed from the InChIKey.

• 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 named differently depending on the various situations of industrial applications. Other names (synonyms) of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- including the registry numbers are listed below, 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 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl- formula?
C6H5N5
How many atoms and what elements are included in 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 in 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 molar mass?
147.1374 g/mol
What’s the SMILES structure of 1H-Imidazole-4,5-dicarbonitrile, 2-amino-1-methyl-?
Cn1c(N)nc(C#N)c1C#N
What’s the InChI code 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 format 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).