2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine

C6H12N2O — CID 67159134

IUPAC2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine
SMILESC1=CNCCOCCN1
InChIInChI=1S/C6H12N2O/c1-2-8-4-6-9-5-3-7-1/h1-2,7-8H,3-6H2
InChIKeyJIXYKCPBNCVSCY-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.33
Rot. Bonds

About 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine

2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine (PubChem CID 67159134) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine.

Molecular Properties

Compound Name2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine
PubChem CID67159134
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine
SMILESC1=CNCCOCCN1
InChIInChI=1S/C6H12N2O/c1-2-8-4-6-9-5-3-7-1/h1-2,7-8H,3-6H2
InChIKeyJIXYKCPBNCVSCY-UHFFFAOYSA-N
XLogP-0.33
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine?
The IUPAC name of 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine (CID 67159134) is 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine.
What is the SMILES notation for 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine?
The canonical SMILES for 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine is C1=CNCCOCCN1.
What is the InChIKey of 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine?
The InChIKey is JIXYKCPBNCVSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-8-4-6-9-5-3-7-1/h1-2,7-8H,3-6H2.
What are the key properties of 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine?
2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine has a molecular weight of 128.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7,8,9-hexahydro-1,4,7-oxadiazonine is sourced from PubChem (CID 67159134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).