1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol

C13H22N2O2 — CID 114209890

IUPAC1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol
SMILESCOc1ccc(C(O)CCCC(C)(C)C)nn1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)9-5-6-11(16)10-7-8-12(17-4)15-14-10/h7-8,11,16H,5-6,9H2,1-4H3
InChIKeyVSOZODKARCTOJV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.73
Rot. Bonds5

About 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol

1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol (PubChem CID 114209890) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol
PubChem CID114209890
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol
SMILESCOc1ccc(C(O)CCCC(C)(C)C)nn1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)9-5-6-11(16)10-7-8-12(17-4)15-14-10/h7-8,11,16H,5-6,9H2,1-4H3
InChIKeyVSOZODKARCTOJV-UHFFFAOYSA-N
XLogP2.73
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxypyridazin-3-yl)pentan-1-ol
CID 103373456
1-(6-methoxypyridazin-3-yl)nonan-1-ol
CID 103373545
1-(6-methoxypyridazin-3-yl)decan-1-ol
CID 103373600
2-(2-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373525
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-(2,3-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 107308299
2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373520
2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373598
2-(2,6-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373585
2-(2-chloro-5-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373694
N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine
CID 103374480
1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 103373619

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol (CID 114209890) is 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol is COc1ccc(C(O)CCCC(C)(C)C)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol?
The InChIKey is VSOZODKARCTOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)9-5-6-11(16)10-7-8-12(17-4)15-14-10/h7-8,11,16H,5-6,9H2,1-4H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol?
1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 114209890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).