4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione

C12H20N2O2 — CID 23600270

IUPAC4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione
SMILESCC(C)c1c(C(C)(C)C)c(=O)n(C)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-7(2)8-9(12(3,4)5)11(16)14(6)13-10(8)15/h7H,1-6H3,(H,13,15)
InChIKeySBXPFCHIQQLUSD-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.49
Rot. Bonds1

About 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione

4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione (PubChem CID 23600270) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione
PubChem CID23600270
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione
SMILESCC(C)c1c(C(C)(C)C)c(=O)n(C)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-7(2)8-9(12(3,4)5)11(16)14(6)13-10(8)15/h7H,1-6H3,(H,13,15)
InChIKeySBXPFCHIQQLUSD-UHFFFAOYSA-N
XLogP1.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Ditert-butyl-1,2-dimethylpyridazine-3,6-dione
CID 20871956
2-Butyl-4,5-ditert-butyl-1,3-dihydropyridazin-6-one
CID 20871985
2-butyl-4,5-ditert-butyl-1H-pyridazine-3,6-dione
CID 20871986
4,5-ditert-butyl-1,2-dimethyl-3H-pyridazin-6-one
CID 23402512
4,5-Ditert-butyl-2-methyl-1,3-dihydropyridazin-6-one
CID 23402545
4,5-Ditert-butyl-2-propyl-1,3-dihydropyridazin-6-one
CID 23552367
4,5-ditert-butyl-2-propyl-1H-pyridazine-3,6-dione
CID 23552368
4,5-ditert-butyl-2-methyl-1H-pyridazine-3,6-dione
CID 23592090
4,5-ditert-butyl-2-methyl-1H-pyrazol-3-one
CID 23592097
4-tert-butyl-2,5-dimethyl-1H-pyrazol-3-one
CID 57709343
4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyrazol-3-one
CID 57709447
5-Tert-butyl-2-methyl-4-propan-2-yl-1,3-dihydropyridazin-6-one
CID 59319504

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione?
The IUPAC name of 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione (CID 23600270) is 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione?
The canonical SMILES for 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione is CC(C)c1c(C(C)(C)C)c(=O)n(C)[nH]c1=O.
What is the InChIKey of 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione?
The InChIKey is SBXPFCHIQQLUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(2)8-9(12(3,4)5)11(16)14(6)13-10(8)15/h7H,1-6H3,(H,13,15).
What are the key properties of 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione?
4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione has a molecular weight of 224.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-5-propan-2-yl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 23600270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).