6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione

C15H24N2O2 — CID 59354833

IUPAC6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione
SMILESCC(C)(C)c1c(C(C)(C)C)c(=O)n2n(c1=O)CCC2
InChIInChI=1S/C15H24N2O2/c1-14(2,3)10-11(15(4,5)6)13(19)17-9-7-8-16(17)12(10)18/h7-9H2,1-6H3
InChIKeyXVQLGRZNMUOEDA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.01
Rot. Bonds

About 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione

6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione (PubChem CID 59354833) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione.

Molecular Properties

Compound Name6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione
PubChem CID59354833
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione
SMILESCC(C)(C)c1c(C(C)(C)C)c(=O)n2n(c1=O)CCC2
InChIInChI=1S/C15H24N2O2/c1-14(2,3)10-11(15(4,5)6)13(19)17-9-7-8-16(17)12(10)18/h7-9H2,1-6H3
InChIKeyXVQLGRZNMUOEDA-UHFFFAOYSA-N
XLogP2.01
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione?
The IUPAC name of 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione (CID 59354833) is 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione.
What is the SMILES notation for 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione?
The canonical SMILES for 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione is CC(C)(C)c1c(C(C)(C)C)c(=O)n2n(c1=O)CCC2.
What is the InChIKey of 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione?
The InChIKey is XVQLGRZNMUOEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)10-11(15(4,5)6)13(19)17-9-7-8-16(17)12(10)18/h7-9H2,1-6H3.
What are the key properties of 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione?
6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione has a molecular weight of 264.37 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-ditert-butyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazine-5,8-dione is sourced from PubChem (CID 59354833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).