2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione

C19H32N2O2 — CID 166765827

IUPAC2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione
SMILESCC1(C)CC(C)(C)c2c1c(=O)n(C(C)(C)C)n(C(C)(C)C)c2=O
InChIInChI=1S/C19H32N2O2/c1-16(2,3)20-14(22)12-13(15(23)21(20)17(4,5)6)19(9,10)11-18(12,7)8/h11H2,1-10H3
InChIKeyIOZOVIKVIIJQOB-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.48
Rot. Bonds

About 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione

2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione (PubChem CID 166765827) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione.

Molecular Properties

Compound Name2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione
PubChem CID166765827
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione
SMILESCC1(C)CC(C)(C)c2c1c(=O)n(C(C)(C)C)n(C(C)(C)C)c2=O
InChIInChI=1S/C19H32N2O2/c1-16(2,3)20-14(22)12-13(15(23)21(20)17(4,5)6)19(9,10)11-18(12,7)8/h11H2,1-10H3
InChIKeyIOZOVIKVIIJQOB-UHFFFAOYSA-N
XLogP3.48
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione?
The IUPAC name of 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione (CID 166765827) is 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione.
What is the SMILES notation for 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione?
The canonical SMILES for 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione is CC1(C)CC(C)(C)c2c1c(=O)n(C(C)(C)C)n(C(C)(C)C)c2=O.
What is the InChIKey of 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione?
The InChIKey is IOZOVIKVIIJQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-16(2,3)20-14(22)12-13(15(23)21(20)17(4,5)6)19(9,10)11-18(12,7)8/h11H2,1-10H3.
What are the key properties of 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione?
2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione has a molecular weight of 320.48 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5,5,7,7-tetramethyl-6H-cyclopenta[d]pyridazine-1,4-dione is sourced from PubChem (CID 166765827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).