5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one

C11H15N3O — CID 145305733

IUPAC5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one
SMILESCC(C)c1cc2c(nn1)NC(=O)C2(C)C
InChIInChI=1S/C11H15N3O/c1-6(2)8-5-7-9(14-13-8)12-10(15)11(7,3)4/h5-6H,1-4H3,(H,12,14,15)
InChIKeyUFNOUPJYEWNMRI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.83
Rot. Bonds1

About 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one

5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one (PubChem CID 145305733) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one
PubChem CID145305733
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one
SMILESCC(C)c1cc2c(nn1)NC(=O)C2(C)C
InChIInChI=1S/C11H15N3O/c1-6(2)8-5-7-9(14-13-8)12-10(15)11(7,3)4/h5-6H,1-4H3,(H,12,14,15)
InChIKeyUFNOUPJYEWNMRI-UHFFFAOYSA-N
XLogP1.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one (CID 145305733) is 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one is CC(C)c1cc2c(nn1)NC(=O)C2(C)C.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one?
The InChIKey is UFNOUPJYEWNMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6(2)8-5-7-9(14-13-8)12-10(15)11(7,3)4/h5-6H,1-4H3,(H,12,14,15).
What are the key properties of 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one?
5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one has a molecular weight of 205.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-c]pyridazin-6-one is sourced from PubChem (CID 145305733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).