(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C14H20N2O3S — CID 103373405

IUPAC(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC3(CCSC3)C2)nn1
InChIInChI=1S/C14H20N2O3S/c1-18-12-3-2-11(15-16-12)13(17)10-4-6-19-14(8-10)5-7-20-9-14/h2-3,10,13,17H,4-9H2,1H3
InChIKeyOWVDKVRHTZQBEM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.82
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 103373405) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID103373405
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC3(CCSC3)C2)nn1
InChIInChI=1S/C14H20N2O3S/c1-18-12-3-2-11(15-16-12)13(17)10-4-6-19-14(8-10)5-7-20-9-14/h2-3,10,13,17H,4-9H2,1H3
InChIKeyOWVDKVRHTZQBEM-UHFFFAOYSA-N
XLogP1.82
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
[6-(5-Methyl-2-propan-2-ylcyclohexyl)oxypyridazin-3-yl]methanol
CID 61255065
[6-(2-Methylcyclohexyl)oxypyridazin-3-yl]methanol
CID 61257157
[6-(3-Methylcyclohexyl)oxypyridazin-3-yl]methanol
CID 61257169
[6-(2-Ethylcyclohexyl)oxypyridazin-3-yl]methanol
CID 61257773
[6-(3-Ethylcyclohexyl)oxypyridazin-3-yl]methanol
CID 64256978
[6-(3,5-Dimethylcyclohexyl)oxypyridazin-3-yl]methanol
CID 64728819
(6-Methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methanol
CID 103373402
Cycloheptyl-(6-methoxypyridazin-3-yl)methanol
CID 103373411
4-Methoxy-1-(6-methoxypyridazin-3-yl)-2-methylbutan-1-ol
CID 103373418
(6-Methoxypyridazin-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 103373425
Cyclopropyl-(6-methoxypyridazin-3-yl)methanol
CID 103373429

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 103373405) is (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is COc1ccc(C(O)C2CCOC3(CCSC3)C2)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is OWVDKVRHTZQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-18-12-3-2-11(15-16-12)13(17)10-4-6-19-14(8-10)5-7-20-9-14/h2-3,10,13,17H,4-9H2,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 296.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 103373405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).