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

C13H22N2O — CID 20872054

IUPAC4,5-ditert-butyl-2-methylpyridazin-3-one
SMILESCn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-12(2,3)9-8-14-15(7)11(16)10(9)13(4,5)6/h8H,1-7H3
InChIKeyLXUTYDPZDXUKCO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.38
Rot. Bonds

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

4,5-ditert-butyl-2-methylpyridazin-3-one (PubChem CID 20872054) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4,5-ditert-butyl-2-methylpyridazin-3-one
PubChem CID20872054
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4,5-ditert-butyl-2-methylpyridazin-3-one
SMILESCn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-12(2,3)9-8-14-15(7)11(16)10(9)13(4,5)6/h8H,1-7H3
InChIKeyLXUTYDPZDXUKCO-UHFFFAOYSA-N
XLogP2.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-methylpyridazin-3-one?
The IUPAC name of 4,5-ditert-butyl-2-methylpyridazin-3-one (CID 20872054) is 4,5-ditert-butyl-2-methylpyridazin-3-one.
What is the SMILES notation for 4,5-ditert-butyl-2-methylpyridazin-3-one?
The canonical SMILES for 4,5-ditert-butyl-2-methylpyridazin-3-one is Cn1ncc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 4,5-ditert-butyl-2-methylpyridazin-3-one?
The InChIKey is LXUTYDPZDXUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(2,3)9-8-14-15(7)11(16)10(9)13(4,5)6/h8H,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-methylpyridazin-3-one?
4,5-ditert-butyl-2-methylpyridazin-3-one has a molecular weight of 222.33 g/mol, XLogP of 2.38, 0 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-methylpyridazin-3-one is sourced from PubChem (CID 20872054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).