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

C14H18N2O3S — CID 56794107

IUPAC1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1cc(OCC(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
InChIKeyZLESIMMFXPFACI-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.11
Rot. Bonds7

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

1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 56794107) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID56794107
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1cc(OCC(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
InChIKeyZLESIMMFXPFACI-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 56794107) is 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol is Cc1cc(OCC(O)COCc2cccs2)nnc1C.
What is the InChIKey of 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is ZLESIMMFXPFACI-UHFFFAOYSA-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.
What are the key properties of 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol?
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 1-(5,6-dimethylpyridazin-3-yl)oxy-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 56794107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).