(6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol

C11H12N2O2S — CID 103373441

IUPAC(6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol
SMILESCOc1ccc(C(O)c2ccsc2C)nn1
InChIInChI=1S/C11H12N2O2S/c1-7-8(5-6-16-7)11(14)9-3-4-10(15-2)13-12-9/h3-6,11,14H,1-2H3
InChIKeyMMICPZYPCLWJOC-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.94
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol

(6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol (PubChem CID 103373441) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol
PubChem CID103373441
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol
SMILESCOc1ccc(C(O)c2ccsc2C)nn1
InChIInChI=1S/C11H12N2O2S/c1-7-8(5-6-16-7)11(14)9-3-4-10(15-2)13-12-9/h3-6,11,14H,1-2H3
InChIKeyMMICPZYPCLWJOC-UHFFFAOYSA-N
XLogP1.94
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol (CID 103373441) is (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol is COc1ccc(C(O)c2ccsc2C)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is MMICPZYPCLWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-8(5-6-16-7)11(14)9-3-4-10(15-2)13-12-9/h3-6,11,14H,1-2H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol?
(6-methoxypyridazin-3-yl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 236.30 g/mol, XLogP of 1.94, 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)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 103373441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).