2,3,6,9-tetrahydro-1,4,7-oxadiazonine

C6H10N2O — CID 57209016

IUPAC2,3,6,9-tetrahydro-1,4,7-oxadiazonine
SMILESC1=N\C/C=N\CCOC/1
InChIInChI=1S/C6H10N2O/c1-2-8-4-6-9-5-3-7-1/h1,4H,2-3,5-6H2/b7-1-,8-4-
InChIKeyULMMBRSVLWIAFJ-CLVLBALMSA-N
MW126.16 g/mol
LogP0.16
Rot. Bonds

About 2,3,6,9-tetrahydro-1,4,7-oxadiazonine

2,3,6,9-tetrahydro-1,4,7-oxadiazonine (PubChem CID 57209016) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,3,6,9-tetrahydro-1,4,7-oxadiazonine.

Molecular Properties

Compound Name2,3,6,9-tetrahydro-1,4,7-oxadiazonine
PubChem CID57209016
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,3,6,9-tetrahydro-1,4,7-oxadiazonine
SMILESC1=N\C/C=N\CCOC/1
InChIInChI=1S/C6H10N2O/c1-2-8-4-6-9-5-3-7-1/h1,4H,2-3,5-6H2/b7-1-,8-4-
InChIKeyULMMBRSVLWIAFJ-CLVLBALMSA-N
XLogP0.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,9-tetrahydro-1,4,7-oxadiazonine?
The IUPAC name of 2,3,6,9-tetrahydro-1,4,7-oxadiazonine (CID 57209016) is 2,3,6,9-tetrahydro-1,4,7-oxadiazonine.
What is the SMILES notation for 2,3,6,9-tetrahydro-1,4,7-oxadiazonine?
The canonical SMILES for 2,3,6,9-tetrahydro-1,4,7-oxadiazonine is C1=N\C/C=N\CCOC/1.
What is the InChIKey of 2,3,6,9-tetrahydro-1,4,7-oxadiazonine?
The InChIKey is ULMMBRSVLWIAFJ-CLVLBALMSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-8-4-6-9-5-3-7-1/h1,4H,2-3,5-6H2/b7-1-,8-4-.
What are the key properties of 2,3,6,9-tetrahydro-1,4,7-oxadiazonine?
2,3,6,9-tetrahydro-1,4,7-oxadiazonine has a molecular weight of 126.16 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,9-tetrahydro-1,4,7-oxadiazonine is sourced from PubChem (CID 57209016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).