3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol

C12H16N2O2 — CID 171964824

IUPAC3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C2(O)CC3CCC(C2)O3)nn1
InChIInChI=1S/C12H16N2O2/c1-8-2-5-11(14-13-8)12(15)6-9-3-4-10(7-12)16-9/h2,5,9-10,15H,3-4,6-7H2,1H3
InChIKeyRRXSGJPYVJFAJV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.31
Rot. Bonds1

About 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171964824) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171964824
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C2(O)CC3CCC(C2)O3)nn1
InChIInChI=1S/C12H16N2O2/c1-8-2-5-11(14-13-8)12(15)6-9-3-4-10(7-12)16-9/h2,5,9-10,15H,3-4,6-7H2,1H3
InChIKeyRRXSGJPYVJFAJV-UHFFFAOYSA-N
XLogP1.31
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171964824) is 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol is Cc1ccc(C2(O)CC3CCC(C2)O3)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is RRXSGJPYVJFAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-2-5-11(14-13-8)12(15)6-9-3-4-10(7-12)16-9/h2,5,9-10,15H,3-4,6-7H2,1H3.
What are the key properties of 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 220.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).