5-methoxy-2-(oxan-2-yl)pyridazin-3-one

C10H14N2O3 — CID 10560380

IUPAC5-methoxy-2-(oxan-2-yl)pyridazin-3-one
SMILESCOc1cnn(C2CCCCO2)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-14-8-6-9(13)12(11-7-8)10-4-2-3-5-15-10/h6-7,10H,2-5H2,1H3
InChIKeyWEOZFALDASBYOK-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.95
Rot. Bonds2

About 5-methoxy-2-(oxan-2-yl)pyridazin-3-one

5-methoxy-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 10560380) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-methoxy-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-(oxan-2-yl)pyridazin-3-one
PubChem CID10560380
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-methoxy-2-(oxan-2-yl)pyridazin-3-one
SMILESCOc1cnn(C2CCCCO2)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-14-8-6-9(13)12(11-7-8)10-4-2-3-5-15-10/h6-7,10H,2-5H2,1H3
InChIKeyWEOZFALDASBYOK-UHFFFAOYSA-N
XLogP0.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 5-methoxy-2-(oxan-2-yl)pyridazin-3-one (CID 10560380) is 5-methoxy-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-(oxan-2-yl)pyridazin-3-one is COc1cnn(C2CCCCO2)c(=O)c1.
What is the InChIKey of 5-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is WEOZFALDASBYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-8-6-9(13)12(11-7-8)10-4-2-3-5-15-10/h6-7,10H,2-5H2,1H3.
What are the key properties of 5-methoxy-2-(oxan-2-yl)pyridazin-3-one?
5-methoxy-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 210.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 10560380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).