5-Methoxy-3-methyl-pyridazine
- Iupac Name：5-methoxy-3-methylpyridazine
- CAS No.: 132525-12-3
- Molecular Weight：124.14
- Modify Date.: 2021-12-22 14:15
1. Names and Identifiers
- 1.1 Name
- 5-Methoxy-3-methyl-pyridazine
- 1.2 CAS No.
- 132525-12-3
- 1.3 CID
- 14792126
- 1.4 Molecular Formula
- C6H8N2O (isomer)
- 1.5 Inchi
- InChI=1S/C6H8N2O/c1-5-3-6(9-2)4-7-8-5/h3-4H,1-2H3
- 1.6 InChIkey
- JQGWSDJNNBCERO-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- CC1=CC(=CN=N1)OC
- 1.8 Isomers Smiles
- CC1=CC(=CN=N1)OC
2. Computational chemical data
- Molecular Weight: 124.14g/mol
- Molecular Formula: C6H8N2O
- Compound Is Canonicalized: True
- XLogP3-AA: 0.2
- Exact Mass: 124.063662883
- Monoisotopic Mass: 124.063662883
- Complexity: 87.1
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 35
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAIAAAACAzBlgY+hpAABACiATRnQASSDAAg4gAQmCA3bJgOJqKEsZuBkCBmiBgI6AYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Realated Product Infomation
![[(6-Methoxy-pyridazin-3-ylMethyl)-Methyl-aMino]-acetic acid](https://structimg.guidechem.com/2/14/2960833.png)
![Isoxazolo[4,5-d]pyridazine, 7-methoxy-3-methyl- (9CI)](https://structimg.guidechem.com/10/34/328593.png)
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