1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide

C9H14N2O — CID 163765235

IUPAC1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide
SMILESC1=C[N-][NH+](C2CCCCO2)C=C1
InChIInChI=1S/C9H14N2O/c1-4-8-12-9(5-1)11-7-3-2-6-10-11/h2-3,6-7,9,11H,1,4-5,8H2
InChIKeyMBRRDQYEMPXJEL-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.73
Rot. Bonds1

About 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide

1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide (PubChem CID 163765235) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide.

Molecular Properties

Compound Name1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide
PubChem CID163765235
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide
SMILESC1=C[N-][NH+](C2CCCCO2)C=C1
InChIInChI=1S/C9H14N2O/c1-4-8-12-9(5-1)11-7-3-2-6-10-11/h2-3,6-7,9,11H,1,4-5,8H2
InChIKeyMBRRDQYEMPXJEL-UHFFFAOYSA-N
XLogP0.73
TPSA27.77 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 141198149
CID 141198149
CID 141369639
CID 141369639
CID 170610176
CID 170610176
CID 175775528
CID 175775528

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide?
The IUPAC name of 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide (CID 163765235) is 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide.
What is the SMILES notation for 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide?
The canonical SMILES for 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide is C1=C[N-][NH+](C2CCCCO2)C=C1.
What is the InChIKey of 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide?
The InChIKey is MBRRDQYEMPXJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-8-12-9(5-1)11-7-3-2-6-10-11/h2-3,6-7,9,11H,1,4-5,8H2.
What are the key properties of 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide?
1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide has a molecular weight of 166.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-1H-pyridazin-1-ium-2-ide is sourced from PubChem (CID 163765235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).