4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one

C15H28N2O — CID 23552367

IUPAC4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one
SMILESCCCN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1
InChIInChI=1S/C15H28N2O/c1-8-9-17-10-11(14(2,3)4)12(13(18)16-17)15(5,6)7/h8-10H2,1-7H3,(H,16,18)
InChIKeyGVWIGJRUEZUZDJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.13
Rot. Bonds2

About 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one

4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one (PubChem CID 23552367) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one.

Molecular Properties

Compound Name4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one
PubChem CID23552367
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one
SMILESCCCN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1
InChIInChI=1S/C15H28N2O/c1-8-9-17-10-11(14(2,3)4)12(13(18)16-17)15(5,6)7/h8-10H2,1-7H3,(H,16,18)
InChIKeyGVWIGJRUEZUZDJ-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one?
The IUPAC name of 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one (CID 23552367) is 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one.
What is the SMILES notation for 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one?
The canonical SMILES for 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one is CCCN1CC(C(C)(C)C)=C(C(C)(C)C)C(=O)N1.
What is the InChIKey of 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one?
The InChIKey is GVWIGJRUEZUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-8-9-17-10-11(14(2,3)4)12(13(18)16-17)15(5,6)7/h8-10H2,1-7H3,(H,16,18).
What are the key properties of 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one?
4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one has a molecular weight of 252.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one is sourced from PubChem (CID 23552367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).