5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one

C10H14N2O2 — CID 126857314

IUPAC5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one
SMILESCc1cc(=O)n(C2CCOC2)nc1C
InChIInChI=1S/C10H14N2O2/c1-7-5-10(13)12(11-8(7)2)9-3-4-14-6-9/h5,9H,3-4,6H2,1-2H3
InChIKeyJNNJFEZEEGYQPL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.82
Rot. Bonds1

About 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one

5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one (PubChem CID 126857314) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one
PubChem CID126857314
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one
SMILESCc1cc(=O)n(C2CCOC2)nc1C
InChIInChI=1S/C10H14N2O2/c1-7-5-10(13)12(11-8(7)2)9-3-4-14-6-9/h5,9H,3-4,6H2,1-2H3
InChIKeyJNNJFEZEEGYQPL-UHFFFAOYSA-N
XLogP0.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one?
The IUPAC name of 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one (CID 126857314) is 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one.
What is the SMILES notation for 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one?
The canonical SMILES for 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one is Cc1cc(=O)n(C2CCOC2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one?
The InChIKey is JNNJFEZEEGYQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-10(13)12(11-8(7)2)9-3-4-14-6-9/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one?
5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(oxolan-3-yl)pyridazin-3-one is sourced from PubChem (CID 126857314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).