Formula of F6210-0031 (C9H10N4O3)
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| Chemical Formula | C9H10N4O3 |
|---|---|
| Molecular Weight | 222.2007 g/mol |
| IUPAC Name | 6-oxo-N-(5-oxopyrrolidin-3-yl)-1,6-dihydropyridazine-3-carboxamide |
| SMILES String | O=C1CC(CN1)NC(=O)c2ccc(=O)[nH]n2 |
| InChI | InChI=1S/C9H10N4O3/c14-7-2-1-6(12-13-7)9(16)11-5-3-8(15)10-4-5/h1-2,5H,3-4H2,(H,10,15)(H,11,16)(H,13,14) |
| InChIKey | NFYJPNLYAMPJIC-UHFFFAOYSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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Chemical Formula Description
The F6210-0031 molecule contains a total of 26 atom(s). There are 10 Hydrogen atom(s), 9 Carbon atom(s), 4 Nitrogen atom(s), and 3 Oxygen atom(s). A chemical formula of F6210-0031 can therefore be written as:
C9H10N4O3
The chemical formula of F6210-0031 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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying F6210-0031 Molecule
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Structure Data File (SDF/MOL File) of F6210-0031
The structure data file (SDF/MOL File) of F6210-0031 is available for download in the SDF page of F6210-0031 providing the information about the atoms, bonds, connectivity and coordinates of F6210-0031, which is not completely available in the chemical formula representation. The F6210-0031 structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of F6210-0031
The chemical structure image of F6210-0031 is available in chemical structure page of F6210-0031, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of F6210-0031 and the chemical bonds that hold the atoms together.
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Molecular weight of F6210-0031
The molecular weight of F6210-0031 is available in molecular weight page of F6210-0031, 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 F6210-0031.
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InChI (IUPAC International Chemical Identifier) information of F6210-0031
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of F6210-0031 is:
InChI=1S/C9H10N4O3/c14-7-2-1-6(12-13-7)9(16)11-5-3-8(15)10-4-5/h1-2,5H,3-4H2,(H,10,15)(H,11,16)(H,13,14)
It can provide a standard way to encode the molecular information of F6210-0031 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 F6210-0031 is:
InChIKey=NFYJPNLYAMPJIC-UHFFFAOYSA-N
The InChIKey may allow easier web searches for F6210-0031, but it needs to be linked to the full InChI to get back to the original structure of the F6210-0031 since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of F6210-0031
The F6210-0031 compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of F6210-0031 including the registry numbers is given below, if available:
- 1351607-64-1
- F6210-0031
F6210-0031 Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of F6210-0031? |
|---|
| C9H10N4O3 |
| How many atoms and what are they in the F6210-0031 structure? |
| 26 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), 4 Nitrogen atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what are they in the F6210-0031 structure? |
| 27 bond(s) - 17 non-H bond(s), 5 multiple bond(s), 2 rotatable bond(s), 5 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 2 secondary amide(s) (aliphatic), and 1 hydrazone(s) |
| What’s the molecular weight of F6210-0031? |
| 222.2007 g/mol |
| What’s the SMILES string of F6210-0031? |
| O=C1CC(CN1)NC(=O)c2ccc(=O)[nH]n2 |
| What’s the InChI of F6210-0031? |
| InChI=1S/C9H10N4O3/c14-7-2-1-6(12-13-7)9(16)11-5-3-8(15)10-4-5/h1-2,5H,3-4H2,(H,10,15)(H,11,16)(H,13,14) |
| What’s the InChIKey of F6210-0031? |
| NFYJPNLYAMPJIC-UHFFFAOYSA-N |