[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol

C13H20N2O2 — CID 64728819

IUPAC[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol
SMILESCC1CC(C)CC(Oc2ccc(CO)nn2)C1
InChIInChI=1S/C13H20N2O2/c1-9-5-10(2)7-12(6-9)17-13-4-3-11(8-16)14-15-13/h3-4,9-10,12,16H,5-8H2,1-2H3
InChIKeyZUFBPOOEZRRYMS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.17
Rot. Bonds3

About [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol

[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol (PubChem CID 64728819) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol
PubChem CID64728819
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol
SMILESCC1CC(C)CC(Oc2ccc(CO)nn2)C1
InChIInChI=1S/C13H20N2O2/c1-9-5-10(2)7-12(6-9)17-13-4-3-11(8-16)14-15-13/h3-4,9-10,12,16H,5-8H2,1-2H3
InChIKeyZUFBPOOEZRRYMS-UHFFFAOYSA-N
XLogP2.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(6-Methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridazin-3-yl)methanol
CID 104564146
[6-(Propan-2-yloxy)pyridazin-3-yl]methanol hydrochloride
CID 137944356
(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
(2S)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-phenylmethoxypropan-2-ol
CID 97565739
(1R)-1-(3,5-dimethylphenyl)-2-(5,6-dimethylpyridazin-3-yl)oxyethanol
CID 124224820
3-Butoxy-6-[2-fluoro-2-(4-propylcyclohexyl)ethyl]pyridazine
CID 18605323
3-Butoxy-6-[4-(3-fluoropropyl)cyclohexyl]pyridazine
CID 18611482
3-(6-Fluorohept-1-en-4-yl)-6-prop-2-enoxypyridazine
CID 67658230
(E)-7-[2,3-difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol
CID 70263081
7-[2,3-Difluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol
CID 70263083
(E)-7-[3-fluoro-4-(6-prop-2-enoxypyridazin-3-yl)phenyl]hept-6-en-2-ol
CID 70264004

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol?
The IUPAC name of [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol (CID 64728819) is [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol.
What is the SMILES notation for [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol?
The canonical SMILES for [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol is CC1CC(C)CC(Oc2ccc(CO)nn2)C1.
What is the InChIKey of [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol?
The InChIKey is ZUFBPOOEZRRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-10(2)7-12(6-9)17-13-4-3-11(8-16)14-15-13/h3-4,9-10,12,16H,5-8H2,1-2H3.
What are the key properties of [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol?
[6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethylcyclohexyl)oxypyridazin-3-yl]methanol is sourced from PubChem (CID 64728819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).