2,3,4-Trimethyl-2H-pyrazolo[3,4-b]pyridin-6(7H)-one - CAS 1018126-19-6
Catalog: |
BB052632 |
Product Name: |
2,3,4-Trimethyl-2H-pyrazolo[3,4-b]pyridin-6(7H)-one |
CAS: |
1018126-19-6 |
Synonyms: |
2,3,4-trimethyl-7-hydropyrazolo[3,4-b]pyridin-6-one; 2,3,4-trimethyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one |
IUPAC Name: | 2,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one |
Molecular Weight: | 177.2 |
Molecular Formula: | C9H11N3O |
Canonical SMILES: | CC1=CC(=O)NC2=NN(C(=C12)C)C |
InChI: | InChI=1S/C9H11N3O/c1-5-4-7(13)10-9-8(5)6(2)12(3)11-9/h4H,1-3H3,(H,10,11,13) |
InChI Key: | RFSFPDSKERYIMM-UHFFFAOYSA-N |
Boiling Point: | 387.3±42.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.090211983 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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