(6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C14H20N2O3 — CID 103373425

IUPAC(6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC3(CCC3)C2)nn1
InChIInChI=1S/C14H20N2O3/c1-18-12-4-3-11(15-16-12)13(17)10-5-8-19-14(9-10)6-2-7-14/h3-4,10,13,17H,2,5-9H2,1H3
InChIKeySGYLBQXKVISXTC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.87
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 103373425) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID103373425
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC3(CCC3)C2)nn1
InChIInChI=1S/C14H20N2O3/c1-18-12-4-3-11(15-16-12)13(17)10-5-8-19-14(9-10)6-2-7-14/h3-4,10,13,17H,2,5-9H2,1H3
InChIKeySGYLBQXKVISXTC-UHFFFAOYSA-N
XLogP1.87
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-Methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
[6-(Difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol
CID 123305103
1-(6-Methoxypyridazin-3-yl)hexan-1-ol
CID 15889675
2-(2,5-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373403
2-(3,5-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373423
2-(4-Fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373448
(3-Fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373450
(6-Methoxypyridazin-3-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 103373462
(6-Methoxypyridazin-3-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 103373464
(4-Fluoro-3-methylphenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373465
2-(3,4-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373484

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 103373425) is (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is COc1ccc(C(O)C2CCOC3(CCC3)C2)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is SGYLBQXKVISXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-4-3-11(15-16-12)13(17)10-5-8-19-14(9-10)6-2-7-14/h3-4,10,13,17H,2,5-9H2,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 264.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 103373425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).