Back to Search
3-Amino-6-Methoxypyridazine
CAS: 7252-84-8 | C5H7N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7252-84-8
Molecular Formula:
C5H7N3O
Molecular Mass:
125.13 g/mol
Names and Synonyms:
3-Amino-6-Methoxypyridazine
3-Pyridazinamine, 6-methoxy-
Pyridazine, 3-amino-6-methoxy-
6-Methoxy-3-pyridazinamine
3-Amino-6-methoxypyridazine
6-Methoxypyridazin-3-amine
NSC 73703
3-Methoxy-6-aminopyridazine
6-Amino-3-methoxypyridazine
(6-Methoxypyridazin-3-yl)amine
Identifiers:
SMILES:
COc1ccc(=N)[nH]n1
InChI:
InChI=1S/C5H7N3O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7)
Key Properties
Melting Point
107 °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 | 125.13 g/mol | CAS Common Chemistry |
| 125.131 g/mol | RDKit | |
| 125.058911844 g/mol | RDKit | |
| Canonical SMILES | N=1N=C(N)C=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C5H7N3O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=YPWBPONDYDVMLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107 °C | CAS Common Chemistry |
| Name | 3-Amino-6-methoxypyridazine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 61.76 Ų | RDKit |
| LogP | -0.10223000000000015 | RDKit |
| Molar Refractivity | 30.994399999999995 | RDKit |
