5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one

C11H17N3O2 — CID 126857406

IUPAC5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one
SMILESCN(C)c1cnn(C2CCOCC2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-13(2)10-7-11(15)14(12-8-10)9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyLNUOPTNUZPMDGW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.66
Rot. Bonds2

About 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one

5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one (PubChem CID 126857406) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one
PubChem CID126857406
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one
SMILESCN(C)c1cnn(C2CCOCC2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-13(2)10-7-11(15)14(12-8-10)9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyLNUOPTNUZPMDGW-UHFFFAOYSA-N
XLogP0.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one (CID 126857406) is 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one is CN(C)c1cnn(C2CCOCC2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one?
The InChIKey is LNUOPTNUZPMDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13(2)10-7-11(15)14(12-8-10)9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one?
5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(oxan-4-yl)pyridazin-3-one is sourced from PubChem (CID 126857406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).