3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one

C8H12N2O2 — CID 119083007

IUPAC3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one
SMILESCC(C)(C)Oc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)12-7-5-4-6(11)9-10-7/h4-5H,1-3H3,(H,9,11)
InChIKeyXDPYHUKGRVHLOJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.95
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one

3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one (PubChem CID 119083007) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one
PubChem CID119083007
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one
SMILESCC(C)(C)Oc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N2O2/c1-8(2,3)12-7-5-4-6(11)9-10-7/h4-5H,1-3H3,(H,9,11)
InChIKeyXDPYHUKGRVHLOJ-UHFFFAOYSA-N
XLogP0.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one (CID 119083007) is 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one is CC(C)(C)Oc1ccc(=O)[nH]n1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one?
The InChIKey is XDPYHUKGRVHLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,3)12-7-5-4-6(11)9-10-7/h4-5H,1-3H3,(H,9,11).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one?
3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 119083007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).