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

C9H14N2O2 — CID 61257369

IUPAC[6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol
SMILESCC(C)(C)Oc1ccc(CO)nn1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)13-8-5-4-7(6-12)10-11-8/h4-5,12H,6H2,1-3H3
InChIKeyZGBNTKTULXDKEE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.15
Rot. Bonds2

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

[6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol (PubChem CID 61257369) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol
PubChem CID61257369
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol
SMILESCC(C)(C)Oc1ccc(CO)nn1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)13-8-5-4-7(6-12)10-11-8/h4-5,12H,6H2,1-3H3
InChIKeyZGBNTKTULXDKEE-UHFFFAOYSA-N
XLogP1.15
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol?
The IUPAC name of [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol (CID 61257369) is [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol is CC(C)(C)Oc1ccc(CO)nn1.
What is the InChIKey of [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol?
The InChIKey is ZGBNTKTULXDKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)13-8-5-4-7(6-12)10-11-8/h4-5,12H,6H2,1-3H3.
What are the key properties of [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol?
[6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol has a molecular weight of 182.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol is sourced from PubChem (CID 61257369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).