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Molecule
6-Chloro-N-Methyl-3-Pyridazinamine
CAS: 14959-32-1 · C5H6ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14959-32-1
- Molecular Formula
- C5H6ClN3
- Molecular Mass
- 143.58 g/mol
Identifiers
CAS Registry Number
14959-32-1
SMILES
CN=c1ccc(Cl)n[nH]1
InChI Key
IHSYIVAZIINDFR-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
Names and Synonyms
- 6-Chloro-N-Methyl-3-Pyridazinamine Systematic Name
- 3-Pyridazinamine, 6-chloro-N-methyl- Synonym
- Pyridazine, 3-chloro-6-(methylamino)- Synonym
- 6-Chloro-N-methyl-3-pyridazinamine Synonym
- 3-Chloro-6-(methylamino)pyridazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.58 g/mol | CAS Common Chemistry |
| 143.577 g/mol | RDKit | |
| 143.574 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=NN=C(C=C1)NC | CAS Common Chemistry |
| InChI | InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9) | CAS Common Chemistry |
| InChI Key | InChIKey=IHSYIVAZIINDFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-199 °C | CAS Common Chemistry |
| Name | 6-Chloro-N-methyl-3-pyridazinamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.04 Ų | RDKit |
| LogP | 0.5935999999999999 | RDKit |
| 0.5936 | RDKit | |
| Molar Refractivity | 35.0847 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 143.025024872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 143.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6ClN3.
