boric acid;3,6-dimethoxypyridazine

C6H11BN2O5 — CID 139090617

IUPACboric acid;3,6-dimethoxypyridazine
SMILESCOc1ccc(OC)nn1.OB(O)O
InChIInChI=1S/C6H8N2O2.BH3O3/c1-9-5-3-4-6(10-2)8-7-5;2-1(3)4/h3-4H,1-2H3;2-4H
InChIKeyXBSYTIMXOZAYCN-UHFFFAOYSA-N
MW201.97 g/mol
LogP-1.56
Rot. Bonds2

About boric acid;3,6-dimethoxypyridazine

boric acid;3,6-dimethoxypyridazine (PubChem CID 139090617) has the molecular formula C6H11BN2O5 and a molecular weight of 201.97 g/mol. Its IUPAC name is boric acid;3,6-dimethoxypyridazine.

Molecular Properties

Compound Nameboric acid;3,6-dimethoxypyridazine
PubChem CID139090617
Molecular FormulaC6H11BN2O5
Molecular Weight201.97 g/mol
Exact Mass202.08
IUPAC Nameboric acid;3,6-dimethoxypyridazine
SMILESCOc1ccc(OC)nn1.OB(O)O
InChIInChI=1S/C6H8N2O2.BH3O3/c1-9-5-3-4-6(10-2)8-7-5;2-1(3)4/h3-4H,1-2H3;2-4H
InChIKeyXBSYTIMXOZAYCN-UHFFFAOYSA-N
XLogP-1.56
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.97
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 69002716
6-methoxy-N'-methylpyridazine-3-carboximidamide
CID 103375252
1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol
CID 114209890
1-(6-methoxypyridazin-3-yl)pentan-1-ol
CID 103373456
6-methoxypyridazine-3-carbaldehyde
CID 13227306
3-methoxy-6-(methoxymethyl)pyridazine
CID 117104950
(6-methoxypyridazin-3-yl)carbamic acid
CID 68896091
2-(6-methoxypyridazin-3-yl)ethanethioamide
CID 130505695
1-(6-methoxypyridazin-3-yl)-N,2-dimethylprop-2-en-1-amine
CID 103374177
[2-methoxy-1-(6-methoxypyridazin-3-yl)ethyl]hydrazine
CID 103375615
(6-methoxypyridazin-3-yl)-pyrimidin-5-ylmethanol
CID 103373686
(3,6-dimethoxypyridazin-4-yl)oxyboronic acid
CID 142797904

Frequently Asked Questions

What is the IUPAC name of boric acid;3,6-dimethoxypyridazine?
The IUPAC name of boric acid;3,6-dimethoxypyridazine (CID 139090617) is boric acid;3,6-dimethoxypyridazine.
What is the SMILES notation for boric acid;3,6-dimethoxypyridazine?
The canonical SMILES for boric acid;3,6-dimethoxypyridazine is COc1ccc(OC)nn1.OB(O)O.
What is the InChIKey of boric acid;3,6-dimethoxypyridazine?
The InChIKey is XBSYTIMXOZAYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.BH3O3/c1-9-5-3-4-6(10-2)8-7-5;2-1(3)4/h3-4H,1-2H3;2-4H.
What are the key properties of boric acid;3,6-dimethoxypyridazine?
boric acid;3,6-dimethoxypyridazine has a molecular weight of 201.97 g/mol, XLogP of -1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;3,6-dimethoxypyridazine is sourced from PubChem (CID 139090617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).