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

C15H26N2O — CID 23552383

IUPAC4,5-ditert-butyl-2-propylpyridazin-3-one
SMILESCCCn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H26N2O/c1-8-9-17-13(18)12(15(5,6)7)11(10-16-17)14(2,3)4/h10H,8-9H2,1-7H3
InChIKeyXZSFBHSNFFHNHW-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.25
Rot. Bonds2

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

4,5-ditert-butyl-2-propylpyridazin-3-one (PubChem CID 23552383) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4,5-ditert-butyl-2-propylpyridazin-3-one
PubChem CID23552383
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4,5-ditert-butyl-2-propylpyridazin-3-one
SMILESCCCn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H26N2O/c1-8-9-17-13(18)12(15(5,6)7)11(10-16-17)14(2,3)4/h10H,8-9H2,1-7H3
InChIKeyXZSFBHSNFFHNHW-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 102974987
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
CID 114446777
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
CID 114439887
6-methyl-2-propylphthalazin-1-one
CID 170390564
N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114652183
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
N-[1-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 114438200
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-methylbutan-1-one
CID 114642645
4-chloro-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-propylpyridazin-3-one
CID 114437191

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-propylpyridazin-3-one?
The IUPAC name of 4,5-ditert-butyl-2-propylpyridazin-3-one (CID 23552383) is 4,5-ditert-butyl-2-propylpyridazin-3-one.
What is the SMILES notation for 4,5-ditert-butyl-2-propylpyridazin-3-one?
The canonical SMILES for 4,5-ditert-butyl-2-propylpyridazin-3-one is CCCn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 4,5-ditert-butyl-2-propylpyridazin-3-one?
The InChIKey is XZSFBHSNFFHNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-8-9-17-13(18)12(15(5,6)7)11(10-16-17)14(2,3)4/h10H,8-9H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-propylpyridazin-3-one?
4,5-ditert-butyl-2-propylpyridazin-3-one has a molecular weight of 250.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-propylpyridazin-3-one is sourced from PubChem (CID 23552383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).