4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione

C14H24N2O2 — CID 20871956

IUPAC4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione
SMILESCn1c(=O)c(C(C)(C)C)c(C(C)(C)C)c(=O)n1C
InChIInChI=1S/C14H24N2O2/c1-13(2,3)9-10(14(4,5)6)12(18)16(8)15(7)11(9)17/h1-8H3
InChIKeyLDGOAGKXHKXBCR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.68
Rot. Bonds

About 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione

4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione (PubChem CID 20871956) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione
PubChem CID20871956
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione
SMILESCn1c(=O)c(C(C)(C)C)c(C(C)(C)C)c(=O)n1C
InChIInChI=1S/C14H24N2O2/c1-13(2,3)9-10(14(4,5)6)12(18)16(8)15(7)11(9)17/h1-8H3
InChIKeyLDGOAGKXHKXBCR-UHFFFAOYSA-N
XLogP1.68
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione?
The IUPAC name of 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione (CID 20871956) is 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione.
What is the SMILES notation for 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione?
The canonical SMILES for 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione is Cn1c(=O)c(C(C)(C)C)c(C(C)(C)C)c(=O)n1C.
What is the InChIKey of 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione?
The InChIKey is LDGOAGKXHKXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2,3)9-10(14(4,5)6)12(18)16(8)15(7)11(9)17/h1-8H3.
What are the key properties of 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione?
4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione has a molecular weight of 252.36 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1,2-dimethylpyridazine-3,6-dione is sourced from PubChem (CID 20871956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).