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Molecule
3-Chloro-6-Hydrazinopyridazine
CAS: 17284-97-8 · C4H5ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17284-97-8
- Molecular Formula
- C4H5ClN4
- Molecular Mass
- 144.57 g/mol
Identifiers
CAS Registry Number
17284-97-8
SMILES
NN=c1ccc(Cl)n[nH]1
InChI Key
FXYQRYGWWZKUFV-UHFFFAOYSA-N
InChI
InChI=1S/C4H5ClN4/c5-3-1-2-4(7-6)9-8-3/h1-2H,6H2,(H,7,9)
Names and Synonyms
- 3-Chloro-6-Hydrazinopyridazine Synonym
- Pyridazine, 3-chloro-6-hydrazinyl- Synonym
- Pyridazine, 3-chloro-6-hydrazino- Synonym
- 3(2H)-Pyridazinone, 6-chloro-, hydrazone Synonym
- 3-Chloro-6-hydrazinylpyridazine Synonym
- 3-Hydrazino-6-chloropyridazine Synonym
- 6-Chloro-3-hydrazinopyridazine Synonym
- 3-Chloro-6-hydrazinopyridazine Synonym
- (3-Chloro-6-pyridazinyl)hydrazine Synonym
- (6-Chloro-3-pyridazinyl)hydrazine Synonym
- ABC 907 Synonym
- NSC 367616 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.57 g/mol | CAS Common Chemistry |
| 144.565 g/mol | RDKit | |
| 144.562 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=NNC(=NN)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H5ClN4/c5-3-1-2-4(7-6)9-8-3/h1-2H,6H2,(H,7,9) | CAS Common Chemistry |
| InChI Key | InChIKey=FXYQRYGWWZKUFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135-137 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 3-Chloro-6-hydrazinopyridazine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 67.06 Ų | RDKit |
| 62.74 Ų | chempirical lib | |
| LogP | -0.16250000000000026 | RDKit |
| -0.1625 | RDKit | |
| Molar Refractivity | 33.348099999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 144.02027384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 144.57 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H5ClN4.
