Formula of Methyl pyrazine-2-carboximidate (C6H7N3O)
Identification of Methyl pyrazine-2-carboximidate Chemical Compound
Chemical Formula | C6H7N3O |
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Molecular Weight | 137.13928 g/mol |
IUPAC Name | methyl pyrazine-2-carboximidate |
SMILES String | COC(=N)c1cnccn1 |
InChI | InChI=1S/C6H7N3O/c1-10-6(7)5-4-8-2-3-9-5/h2-4,7H,1H3/b7-6- |
InChIKey | KJPCOZRHGFEIMQ-SREVYHEPSA-N |
Chemical Formula Description
The methyl pyrazine-2-carboximidate molecule contains a total of 17 atom(s). There are 7 Hydrogen atom(s), 6 Carbon atom(s), 3 Nitrogen atom(s), and 1 Oxygen atom(s). A chemical formula of methyl pyrazine-2-carboximidate can therefore be written as:
C6H7N3O
The chemical formula of methyl pyrazine-2-carboximidate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Methyl pyrazine-2-carboximidate Molecule
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Structure Data File (SDF/MOL File) of methyl pyrazine-2-carboximidate
The structure data file (SDF/MOL File) of methyl pyrazine-2-carboximidate is available for download in the SDF page of methyl pyrazine-2-carboximidate providing the information about the atoms, bonds, connectivity and coordinates of methyl pyrazine-2-carboximidate, which is not completely available in the chemical formula representation. The methyl pyrazine-2-carboximidate structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of methyl pyrazine-2-carboximidate
The chemical structure image of methyl pyrazine-2-carboximidate is available in chemical structure page of methyl pyrazine-2-carboximidate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of methyl pyrazine-2-carboximidate and the chemical bonds that hold the atoms together.
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Molecular weight of methyl pyrazine-2-carboximidate
The molecular weight of methyl pyrazine-2-carboximidate is available in molecular weight page of methyl pyrazine-2-carboximidate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of methyl pyrazine-2-carboximidate.
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InChI (IUPAC International Chemical Identifier) information of methyl pyrazine-2-carboximidate
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of methyl pyrazine-2-carboximidate is:
InChI=1S/C6H7N3O/c1-10-6(7)5-4-8-2-3-9-5/h2-4,7H,1H3/b7-6-
It can provide a standard way to encode the molecular information of methyl pyrazine-2-carboximidate 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 methyl pyrazine-2-carboximidate is:
InChIKey=KJPCOZRHGFEIMQ-SREVYHEPSA-N
The InChIKey may allow easier web searches for methyl pyrazine-2-carboximidate, but it needs to be linked to the full InChI to get back to the original structure of the methyl pyrazine-2-carboximidate since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of methyl pyrazine-2-carboximidate
The methyl pyrazine-2-carboximidate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of methyl pyrazine-2-carboximidate including the registry numbers is given below, if available:
- R2710
- BBV-32223505
- 2-Pyrazinecarboximidic acid, methyl ester
- pyrazine-2-carboximidic acidmethyl ester
- 2-Pyrazinecarboximidicacid, methyl ester
- MFCD00233279
- ZX-AN016475
- alpha-Methoxy-2-pyrazinemethanimine
- methyl pyrazine-2-carboximidoate
- pyrazineimidic acid methyl ester
- methylpyrazine-2-carbimidate
- methyl pyrazinecarboximidate
- methylpyrazin-2-imidate
- Pyrazine-2-carboximidic acid methylester
- Pyrazine-2-carboximidic acid methyl ester
- 74617-55-3
Methyl pyrazine-2-carboximidate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of methyl pyrazine-2-carboximidate? |
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C6H7N3O |
How many atoms and what are they in the methyl pyrazine-2-carboximidate structure? |
17 atom(s) - 7 Hydrogen atom(s), 6 Carbon atom(s), 3 Nitrogen atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what are they in the methyl pyrazine-2-carboximidate structure? |
17 bond(s) - 10 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ether(s) (aliphatic) |
What’s the molecular weight of methyl pyrazine-2-carboximidate? |
137.13928 g/mol |
What’s the SMILES string of methyl pyrazine-2-carboximidate? |
COC(=N)c1cnccn1 |
What’s the InChI of methyl pyrazine-2-carboximidate? |
InChI=1S/C6H7N3O/c1-10-6(7)5-4-8-2-3-9-5/h2-4,7H,1H3/b7-6- |
What’s the InChIKey of methyl pyrazine-2-carboximidate? |
KJPCOZRHGFEIMQ-SREVYHEPSA-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).