3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one

C9H12N4O — CID 14910650

IUPAC3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one
SMILESCC1=NN(C)C(=O)C2(C)C(C)=NN=C12
InChIInChI=1S/C9H12N4O/c1-5-7-9(3,6(2)10-11-7)8(14)13(4)12-5/h1-4H3
InChIKeyVDYMHVVMUBSUDW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.67
Rot. Bonds

About 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one

3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one (PubChem CID 14910650) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one
PubChem CID14910650
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one
SMILESCC1=NN(C)C(=O)C2(C)C(C)=NN=C12
InChIInChI=1S/C9H12N4O/c1-5-7-9(3,6(2)10-11-7)8(14)13(4)12-5/h1-4H3
InChIKeyVDYMHVVMUBSUDW-UHFFFAOYSA-N
XLogP0.67
TPSA57.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one (CID 14910650) is 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one is CC1=NN(C)C(=O)C2(C)C(C)=NN=C12.
What is the InChIKey of 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one?
The InChIKey is VDYMHVVMUBSUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5-7-9(3,6(2)10-11-7)8(14)13(4)12-5/h1-4H3.
What are the key properties of 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one?
3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one has a molecular weight of 192.22 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,5,7-tetramethylpyrazolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 14910650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).