3,4-Dimethyl-2-propyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one - CAS 1018126-25-4
Catalog: |
BB052641 |
Product Name: |
3,4-Dimethyl-2-propyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one |
CAS: |
1018126-25-4 |
Synonyms: |
3,4-dimethyl-2-propyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one |
IUPAC Name: | 3,4-dimethyl-2-propyl-7H-pyrazolo[3,4-b]pyridin-6-one |
Molecular Weight: | 205.26 |
Molecular Formula: | C11H15N3O |
Canonical SMILES: | CCCN1C(=C2C(=CC(=O)NC2=N1)C)C |
InChI: | InChI=1S/C11H15N3O/c1-4-5-14-8(3)10-7(2)6-9(15)12-11(10)13-14/h6H,4-5H2,1-3H3,(H,12,13,15) |
InChI Key: | YRSYZOYYROHEFM-UHFFFAOYSA-N |
Boiling Point: | 399.8±42.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.12151211 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.12151211 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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