2-butyl-4,5-ditert-butylpyridazin-3-one

C16H28N2O — CID 20872023

IUPAC2-butyl-4,5-ditert-butylpyridazin-3-one
SMILESCCCCn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C16H28N2O/c1-8-9-10-18-14(19)13(16(5,6)7)12(11-17-18)15(2,3)4/h11H,8-10H2,1-7H3
InChIKeyNVUFJWTZHJYTSY-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.64
Rot. Bonds3

About 2-butyl-4,5-ditert-butylpyridazin-3-one

2-butyl-4,5-ditert-butylpyridazin-3-one (PubChem CID 20872023) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-butyl-4,5-ditert-butylpyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4,5-ditert-butylpyridazin-3-one
PubChem CID20872023
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-butyl-4,5-ditert-butylpyridazin-3-one
SMILESCCCCn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C16H28N2O/c1-8-9-10-18-14(19)13(16(5,6)7)12(11-17-18)15(2,3)4/h11H,8-10H2,1-7H3
InChIKeyNVUFJWTZHJYTSY-UHFFFAOYSA-N
XLogP3.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2,4-diethylpyridazin-3-one
CID 13825166
4,5-Ditert-butyl-2-methylpyridazin-3-one
CID 20872054
1-Butyl-4,5-ditert-butyl-2-methylpyridazine-3,6-dione
CID 23402538
4,5-Ditert-butyl-1-methyl-2-propylpyridazine-3,6-dione
CID 23552335
4,5-ditert-butyl-1-methyl-2-propyl-3H-pyridazin-6-one
CID 23552379
4,5-Ditert-butyl-2-propylpyridazin-3-one
CID 23552383
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272
4-Tert-butyl-2-methylpyridazin-3-one
CID 59598335
2,4-Ditert-butylpyridazin-3-one
CID 60109441
4-Tert-butyl-2-ethylpyridazin-3-one
CID 123914160
4-Tert-butyl-2-propan-2-ylpyridazin-3-one
CID 132238921
2,4-Ditert-butyl-5-(2,2-dimethylpropyl)pyridazin-3-one
CID 139337851

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-ditert-butylpyridazin-3-one?
The IUPAC name of 2-butyl-4,5-ditert-butylpyridazin-3-one (CID 20872023) is 2-butyl-4,5-ditert-butylpyridazin-3-one.
What is the SMILES notation for 2-butyl-4,5-ditert-butylpyridazin-3-one?
The canonical SMILES for 2-butyl-4,5-ditert-butylpyridazin-3-one is CCCCn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 2-butyl-4,5-ditert-butylpyridazin-3-one?
The InChIKey is NVUFJWTZHJYTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-8-9-10-18-14(19)13(16(5,6)7)12(11-17-18)15(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of 2-butyl-4,5-ditert-butylpyridazin-3-one?
2-butyl-4,5-ditert-butylpyridazin-3-one has a molecular weight of 264.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-ditert-butylpyridazin-3-one is sourced from PubChem (CID 20872023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).