5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one - CAS 90817-87-1
Catalog: |
BB039963 |
Product Name: |
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one |
CAS: |
90817-87-1 |
Synonyms: |
5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one; 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one |
IUPAC Name: | 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one |
Description: | 5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one (CAS# 90817-87-1) is a useful research chemical. |
Molecular Weight: | 177.207 |
Molecular Formula: | C9H11N3O |
Canonical SMILES: | CC1=C2C=NNC(=O)C2=C(N1C)C |
InChI: | InChI=1S/C9H11N3O/c1-5-7-4-10-11-9(13)8(7)6(2)12(5)3/h4H,1-3H3,(H,11,13) |
InChI Key: | YHMCEAGPNVSJHN-UHFFFAOYSA-N |
Density: | 1.3 g/cm3 |
MDL: | MFCD08691171 |
LogP: | 0.87840 |
Complexity: | 264 |
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: | 46.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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