2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C13H10N4O4 — CID 136813576

IUPAC2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2noc(-c3c(O)cccc3O)n2)nn1
InChIInChI=1S/C13H10N4O4/c1-20-10-6-5-7(15-16-10)12-14-13(21-17-12)11-8(18)3-2-4-9(11)19/h2-6,18-19H,1H3
InChIKeyGDLZLOTVCQXJGN-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.61
Rot. Bonds3

About 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136813576) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136813576
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2noc(-c3c(O)cccc3O)n2)nn1
InChIInChI=1S/C13H10N4O4/c1-20-10-6-5-7(15-16-10)12-14-13(21-17-12)11-8(18)3-2-4-9(11)19/h2-6,18-19H,1H3
InChIKeyGDLZLOTVCQXJGN-UHFFFAOYSA-N
XLogP1.61
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 103375357
3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372862
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
5-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372756
5-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372807
3-fluoro-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795650
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 103375293
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136927502
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136813576) is 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is COc1ccc(-c2noc(-c3c(O)cccc3O)n2)nn1.
What is the InChIKey of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is GDLZLOTVCQXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c1-20-10-6-5-7(15-16-10)12-14-13(21-17-12)11-8(18)3-2-4-9(11)19/h2-6,18-19H,1H3.
What are the key properties of 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 286.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136813576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).