2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one

C17H30N2O — CID 139337851

IUPAC2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one
SMILESCC(C)(C)Cc1cnn(C(C)(C)C)c(=O)c1C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-15(2,3)10-12-11-18-19(17(7,8)9)14(20)13(12)16(4,5)6/h11H,10H2,1-9H3
InChIKeyUQCVYSWJODLUHR-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.88
Rot. Bonds1

About 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one

2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one (PubChem CID 139337851) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one
PubChem CID139337851
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one
SMILESCC(C)(C)Cc1cnn(C(C)(C)C)c(=O)c1C(C)(C)C
InChIInChI=1S/C17H30N2O/c1-15(2,3)10-12-11-18-19(17(7,8)9)14(20)13(12)16(4,5)6/h11H,10H2,1-9H3
InChIKeyUQCVYSWJODLUHR-UHFFFAOYSA-N
XLogP3.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-4,5-ditert-butylpyridazin-3-one
CID 20872023
4,5-Ditert-butyl-2-propylpyridazin-3-one
CID 23552383
2,4-Ditert-butylpyridazin-3-one
CID 60109441
2,4-Ditert-butyl-6-(2,2-dimethylpropyl)pyridazin-3-one
CID 130271377
2-Tert-butyl-4-ethyl-5-methylpyridazin-3-one
CID 156230286
2-Tert-butyl-4,5-di(propan-2-yl)pyridazin-3-one
CID 164786425

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one?
The IUPAC name of 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one (CID 139337851) is 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one.
What is the SMILES notation for 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one?
The canonical SMILES for 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one is CC(C)(C)Cc1cnn(C(C)(C)C)c(=O)c1C(C)(C)C.
What is the InChIKey of 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one?
The InChIKey is UQCVYSWJODLUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(2,3)10-12-11-18-19(17(7,8)9)14(20)13(12)16(4,5)6/h11H,10H2,1-9H3.
What are the key properties of 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one?
2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one has a molecular weight of 278.44 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one is sourced from PubChem (CID 139337851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).