2-(3-Bromopropyl)-1,2,4-triazolo-pyridin-3-one - CAS 1094305-62-0
Catalog: |
BB071995 |
Product Name: |
2-(3-Bromopropyl)-1,2,4-triazolo-pyridin-3-one |
CAS: |
1094305-62-0 |
Synonyms: |
2-(3-Bromopropyl)-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one |
IUPAC Name: | 2-(3-bromopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one |
Description: | Used in the preparation of bicycloamine derivatives as sodium channel inhibitors for treatment of pain, epilepsy and insomnia. |
Molecular Weight: | 256.1 |
Molecular Formula: | C9H10BrN3O |
Canonical SMILES: | C1=CC2=NN(C(=O)N2C=C1)CCCBr |
InChI: | InChI=1S/C9H10BrN3O/c10-5-3-7-13-9(14)12-6-2-1-4-8(12)11-13/h1-2,4,6H,3,5,7H2 |
InChI Key: | CUWHDJVYWOQIGD-UHFFFAOYSA-N |
Solubility: | Chloroform, Diethyl Ether, Ethyl Acetate |
Appearance: | White Crystals |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.00072 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.00072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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