(2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H18N2O3S — CID 95632980

IUPAC(2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1cc(OC[C@H](O)COCc2cccs2)nnc1C
InChIInChI=1S/C14H18N2O3S/c1-10-6-14(16-15-11(10)2)19-8-12(17)7-18-9-13-4-3-5-20-13/h3-6,12,17H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyZLESIMMFXPFACI-GFCCVEGCSA-N
MW294.38 g/mol
LogP2.11
Rot. Bonds7

About (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol

(2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 95632980) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID95632980
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1cc(OC[C@H](O)COCc2cccs2)nnc1C
InChIInChI=1S/C14H18N2O3S/c1-10-6-14(16-15-11(10)2)19-8-12(17)7-18-9-13-4-3-5-20-13/h3-6,12,17H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyZLESIMMFXPFACI-GFCCVEGCSA-N
XLogP2.11
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

3-Phenoxy-6-thiophen-3-ylpyridazine
CID 155524315
3-Methoxy-6-(thiophen-3-yl)pyridazine
CID 16744458
3-Ethoxy-6-thiophen-2-ylpyridazine
CID 12733957
[5,6-Dimethyl-3-(thiophen-2-ylmethoxy)pyridazin-4-yl]methanamine
CID 54966455
5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile
CID 54966515
5,6-Dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbothioamide
CID 54966765
5,6-Dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile
CID 54967214
1-(5,6-Dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56794107
[6-(Thiophen-2-ylmethoxy)pyridazin-3-yl]methanol
CID 61523818
[6-(2-Thiophen-2-ylethoxy)pyridazin-3-yl]methanol
CID 61523939
3-(Chloromethyl)-6-(thiophen-2-ylmethoxy)pyridazine
CID 61523941
[6-(Thiophen-2-ylmethoxy)pyridazin-3-yl]methanamine
CID 62321563

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 95632980) is (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol is Cc1cc(OC[C@H](O)COCc2cccs2)nnc1C.
What is the InChIKey of (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is ZLESIMMFXPFACI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-6-14(16-15-11(10)2)19-8-12(17)7-18-9-13-4-3-5-20-13/h3-6,12,17H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 294.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 95632980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).