2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one

C9H14N2O2 — CID 171630492

IUPAC2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one
SMILESCn1nc(OC(C)(C)C)ccc1=O
InChIInChI=1S/C9H14N2O2/c1-9(2,3)13-7-5-6-8(12)11(4)10-7/h5-6H,1-4H3
InChIKeyUHLRUFBNALLEBA-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.96
Rot. Bonds1

About 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one

2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one (PubChem CID 171630492) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one
PubChem CID171630492
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one
SMILESCn1nc(OC(C)(C)C)ccc1=O
InChIInChI=1S/C9H14N2O2/c1-9(2,3)13-7-5-6-8(12)11(4)10-7/h5-6H,1-4H3
InChIKeyUHLRUFBNALLEBA-UHFFFAOYSA-N
XLogP0.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one (CID 171630492) is 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one is Cn1nc(OC(C)(C)C)ccc1=O.
What is the InChIKey of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one?
The InChIKey is UHLRUFBNALLEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)13-7-5-6-8(12)11(4)10-7/h5-6H,1-4H3.
What are the key properties of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one?
2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one is sourced from PubChem (CID 171630492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).