Back to Search
6-Methyl-3(2H)-Pyridazinone
CAS: 13327-27-0 | C5H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13327-27-0
Molecular Formula:
C5H6N2O
Molecular Mass:
110.12 g/mol
Names and Synonyms:
6-Methyl-3(2H)-Pyridazinone
3(2H)-Pyridazinone, 6-methyl-
6-Methyl-3(2H)-pyridazinone
3-Hydroxy-6-methylpyridazine
6-Methyl-3-pyridazinone
4-Methyl-5,6-diaza-2,4-cyclohexadien-1-one
NSC 10841
NSC 17180
6-Methyl-2H-pyridazin-3-one
6-Methyl-2H-pyridazine-3-one
6-Methylpyridazin-3-ol
3-Methyl-1H-pyridazin-6-one
Identifiers:
SMILES:
Cc1ccc(O)nn1
InChI:
InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)
Key Properties
Melting Point
138 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.12 g/mol | CAS Common Chemistry |
| 110.11600000000001 g/mol | RDKit | |
| 110.048012812 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=NN1)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=QZWIXLPWMGHDDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 138 °C | CAS Common Chemistry |
| Name | 6-Methyl-3(2H)-pyridazinone | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.010000000000005 Ų | RDKit |
| LogP | 0.4906199999999999 | RDKit |
| Molar Refractivity | 28.43379999999999 | RDKit |
