4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one

C14H26N2O — CID 23402512

IUPAC4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one
SMILESCN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1C
InChIInChI=1S/C14H26N2O/c1-13(2,3)10-9-15(7)16(8)12(17)11(10)14(4,5)6/h9H2,1-8H3
InChIKeyRMZXKSOBYSEGSB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.69
Rot. Bonds

About 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one

4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one (PubChem CID 23402512) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one
PubChem CID23402512
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one
SMILESCN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1C
InChIInChI=1S/C14H26N2O/c1-13(2,3)10-9-15(7)16(8)12(17)11(10)14(4,5)6/h9H2,1-8H3
InChIKeyRMZXKSOBYSEGSB-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one?
The IUPAC name of 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one (CID 23402512) is 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one.
What is the SMILES notation for 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one?
The canonical SMILES for 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one is CN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1C.
What is the InChIKey of 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one?
The InChIKey is RMZXKSOBYSEGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2,3)10-9-15(7)16(8)12(17)11(10)14(4,5)6/h9H2,1-8H3.
What are the key properties of 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one?
4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one has a molecular weight of 238.37 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one is sourced from PubChem (CID 23402512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).