3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine

C12H19N3O2 — CID 117063213

IUPAC3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
SMILESCOc1ccc(OCC2CCCCN2C)nn1
InChIInChI=1S/C12H19N3O2/c1-15-8-4-3-5-10(15)9-17-12-7-6-11(16-2)13-14-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyQZOSWTAYNSVLOA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.35
Rot. Bonds4

About 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine

3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine (PubChem CID 117063213) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
PubChem CID117063213
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
SMILESCOc1ccc(OCC2CCCCN2C)nn1
InChIInChI=1S/C12H19N3O2/c1-15-8-4-3-5-10(15)9-17-12-7-6-11(16-2)13-14-12/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyQZOSWTAYNSVLOA-UHFFFAOYSA-N
XLogP1.35
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine?
The IUPAC name of 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine (CID 117063213) is 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine.
What is the SMILES notation for 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine?
The canonical SMILES for 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine is COc1ccc(OCC2CCCCN2C)nn1.
What is the InChIKey of 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine?
The InChIKey is QZOSWTAYNSVLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-8-4-3-5-10(15)9-17-12-7-6-11(16-2)13-14-12/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine?
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine has a molecular weight of 237.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine is sourced from PubChem (CID 117063213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).