(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

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

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Related Compounds

(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone
CID 107136044
(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943513
8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
CID 171943519
(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947320
(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171946177
2-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)benzonitrile
CID 171939716
(6-methoxypyridazin-3-yl)-(2-phenylcyclopropyl)methanone
CID 103373167
(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 103373092
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405
1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone
CID 171945206
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone
CID 171944085

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).