3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine

C15H19N3O3 — CID 71302768

IUPAC3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine
SMILESCCCCOc1ccc(-c2nncc(OC)c2OC)cn1
InChIInChI=1S/C15H19N3O3/c1-4-5-8-21-13-7-6-11(9-16-13)14-15(20-3)12(19-2)10-17-18-14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyJSYXAJCIPWXAGR-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.73
Rot. Bonds7

About 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine

3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine (PubChem CID 71302768) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine.

Molecular Properties

Compound Name3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine
PubChem CID71302768
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine
SMILESCCCCOc1ccc(-c2nncc(OC)c2OC)cn1
InChIInChI=1S/C15H19N3O3/c1-4-5-8-21-13-7-6-11(9-16-13)14-15(20-3)12(19-2)10-17-18-14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyJSYXAJCIPWXAGR-UHFFFAOYSA-N
XLogP2.73
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine?
The IUPAC name of 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine (CID 71302768) is 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine.
What is the SMILES notation for 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine?
The canonical SMILES for 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine is CCCCOc1ccc(-c2nncc(OC)c2OC)cn1.
What is the InChIKey of 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine?
The InChIKey is JSYXAJCIPWXAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-5-8-21-13-7-6-11(9-16-13)14-15(20-3)12(19-2)10-17-18-14/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine?
3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine has a molecular weight of 289.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-butoxy-3-pyridinyl)-4,5-dimethoxypyridazine is sourced from PubChem (CID 71302768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).