(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone

C11H14N2O3 — CID 107136044

IUPAC(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CCCOC2)nn1
InChIInChI=1S/C11H14N2O3/c1-15-10-5-4-9(12-13-10)11(14)8-3-2-6-16-7-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyZXIAMENMJZXASQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.09
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone

(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone (PubChem CID 107136044) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone
PubChem CID107136044
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CCCOC2)nn1
InChIInChI=1S/C11H14N2O3/c1-15-10-5-4-9(12-13-10)11(14)8-3-2-6-16-7-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyZXIAMENMJZXASQ-UHFFFAOYSA-N
XLogP1.09
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone?
The IUPAC name of (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone (CID 107136044) is (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone is COc1ccc(C(=O)C2CCCOC2)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone?
The InChIKey is ZXIAMENMJZXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-10-5-4-9(12-13-10)11(14)8-3-2-6-16-7-8/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone?
(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone has a molecular weight of 222.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107136044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).