1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

C11H14N4O2 — CID 103096362

IUPAC1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2cc(C)nnc2C)n1
InChIInChI=1S/C11H14N4O2/c1-4-9(16)10-12-11(17-15-10)8-5-6(2)13-14-7(8)3/h5,9,16H,4H2,1-3H3
InChIKeyXDAGZVYVYHEQCH-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.59
Rot. Bonds3

About 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096362) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096362
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(-c2cc(C)nnc2C)n1
InChIInChI=1S/C11H14N4O2/c1-4-9(16)10-12-11(17-15-10)8-5-6(2)13-14-7(8)3/h5,9,16H,4H2,1-3H3
InChIKeyXDAGZVYVYHEQCH-UHFFFAOYSA-N
XLogP1.59
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096362) is 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(-c2cc(C)nnc2C)n1.
What is the InChIKey of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is XDAGZVYVYHEQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-9(16)10-12-11(17-15-10)8-5-6(2)13-14-7(8)3/h5,9,16H,4H2,1-3H3.
What are the key properties of 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 234.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).