Structure 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 Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The F6210-0031 molecule contains a total of 27 bond(s). There are 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). Images of the chemical structure of F6210-0031 are given below:
The 2D chemical structure image of F6210-0031 is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of F6210-0031 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 F6210-0031 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 F6210-0031. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of F6210-0031 is provided here.
The F6210-0031 molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the F6210-0031 molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of F6210-0031 can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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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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SMILES (Simplified Molecular-Input Line-Entry System) string of F6210-0031
The SMILES string of F6210-0031 is O=C1CC(CN1)NC(=O)c2ccc(=O)[nH]n2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the F6210-0031.
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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, which provides the information about the atoms, bonds, connectivity and coordinates of F6210-0031. The F6210-0031 structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of F6210-0031
The molecular formula of F6210-0031 is available in chemical formula page of F6210-0031, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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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 in the molecular formula.
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Other names (synonyms) or registry numbers of F6210-0031
The F6210-0031 compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of F6210-0031 including the various registry numbers, 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 the elements included the F6210-0031 molecule? |
| 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 kind of bonds are included 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 F6210-0031’s molecular weight? |
| 222.2007 g/mol |
| What’s the SMILES code of F6210-0031? |
| O=C1CC(CN1)NC(=O)c2ccc(=O)[nH]n2 |
| What’s the InChI string 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 code of F6210-0031? |
| NFYJPNLYAMPJIC-UHFFFAOYSA-N |