6-tert-butyl-2-propan-2-ylpyridazin-3-one

C11H18N2O — CID 59802747

IUPAC6-tert-butyl-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C11H18N2O/c1-8(2)13-10(14)7-6-9(12-13)11(3,4)5/h6-8H,1-5H3
InChIKeyIYNNBGOAYTUPDC-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.12
Rot. Bonds1

About 6-tert-butyl-2-propan-2-ylpyridazin-3-one

6-tert-butyl-2-propan-2-ylpyridazin-3-one (PubChem CID 59802747) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-tert-butyl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-propan-2-ylpyridazin-3-one
PubChem CID59802747
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-tert-butyl-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C11H18N2O/c1-8(2)13-10(14)7-6-9(12-13)11(3,4)5/h6-8H,1-5H3
InChIKeyIYNNBGOAYTUPDC-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-propan-2-ylpyridazin-3-one (CID 59802747) is 6-tert-butyl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(C(C)(C)C)ccc1=O.
What is the InChIKey of 6-tert-butyl-2-propan-2-ylpyridazin-3-one?
The InChIKey is IYNNBGOAYTUPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-10(14)7-6-9(12-13)11(3,4)5/h6-8H,1-5H3.
What are the key properties of 6-tert-butyl-2-propan-2-ylpyridazin-3-one?
6-tert-butyl-2-propan-2-ylpyridazin-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 59802747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).