[6-(4-methylpentoxy)pyridazin-3-yl]methanol

C11H18N2O2 — CID 61255070

IUPAC[6-(4-methylpentoxy)pyridazin-3-yl]methanol
SMILESCC(C)CCCOc1ccc(CO)nn1
InChIInChI=1S/C11H18N2O2/c1-9(2)4-3-7-15-11-6-5-10(8-14)12-13-11/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyXQLQQFUWAXBGLB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.78
Rot. Bonds6

About [6-(4-methylpentoxy)pyridazin-3-yl]methanol

[6-(4-methylpentoxy)pyridazin-3-yl]methanol (PubChem CID 61255070) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [6-(4-methylpentoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(4-methylpentoxy)pyridazin-3-yl]methanol
PubChem CID61255070
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name[6-(4-methylpentoxy)pyridazin-3-yl]methanol
SMILESCC(C)CCCOc1ccc(CO)nn1
InChIInChI=1S/C11H18N2O2/c1-9(2)4-3-7-15-11-6-5-10(8-14)12-13-11/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyXQLQQFUWAXBGLB-UHFFFAOYSA-N
XLogP1.78
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpentoxy)pyridazin-3-yl]methanol?
The IUPAC name of [6-(4-methylpentoxy)pyridazin-3-yl]methanol (CID 61255070) is [6-(4-methylpentoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(4-methylpentoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(4-methylpentoxy)pyridazin-3-yl]methanol is CC(C)CCCOc1ccc(CO)nn1.
What is the InChIKey of [6-(4-methylpentoxy)pyridazin-3-yl]methanol?
The InChIKey is XQLQQFUWAXBGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)4-3-7-15-11-6-5-10(8-14)12-13-11/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of [6-(4-methylpentoxy)pyridazin-3-yl]methanol?
[6-(4-methylpentoxy)pyridazin-3-yl]methanol has a molecular weight of 210.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpentoxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 61255070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).