(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C13H17N3O3 — CID 171943887

IUPAC(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ccc(C(=O)C2CC3COCC(C2)N3)nn1
InChIInChI=1S/C13H17N3O3/c1-18-12-3-2-11(15-16-12)13(17)8-4-9-6-19-7-10(5-8)14-9/h2-3,8-10,14H,4-7H2,1H3
InChIKeySSTNZZFWYQIIRI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.43
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171943887) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171943887
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ccc(C(=O)C2CC3COCC(C2)N3)nn1
InChIInChI=1S/C13H17N3O3/c1-18-12-3-2-11(15-16-12)13(17)8-4-9-6-19-7-10(5-8)14-9/h2-3,8-10,14H,4-7H2,1H3
InChIKeySSTNZZFWYQIIRI-UHFFFAOYSA-N
XLogP0.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171943887) is (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1ccc(C(=O)C2CC3COCC(C2)N3)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is SSTNZZFWYQIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-12-3-2-11(15-16-12)13(17)8-4-9-6-19-7-10(5-8)14-9/h2-3,8-10,14H,4-7H2,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 263.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171943887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).