5,6-dihydro-4H-oxadiazine

C3H6N2O — CID 21113757

IUPAC5,6-dihydro-4H-oxadiazine
SMILESC1CN=NOC1
InChIInChI=1S/C3H6N2O/c1-2-4-5-6-3-1/h1-3H2
InChIKeyYDGGOTMMIXPQLI-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.77
Rot. Bonds

About 5,6-dihydro-4H-oxadiazine

5,6-dihydro-4H-oxadiazine (PubChem CID 21113757) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is 5,6-dihydro-4H-oxadiazine.

Molecular Properties

Compound Name5,6-dihydro-4H-oxadiazine
PubChem CID21113757
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC Name5,6-dihydro-4H-oxadiazine
SMILESC1CN=NOC1
InChIInChI=1S/C3H6N2O/c1-2-4-5-6-3-1/h1-3H2
InChIKeyYDGGOTMMIXPQLI-UHFFFAOYSA-N
XLogP0.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-oxadiazine?
The IUPAC name of 5,6-dihydro-4H-oxadiazine (CID 21113757) is 5,6-dihydro-4H-oxadiazine.
What is the SMILES notation for 5,6-dihydro-4H-oxadiazine?
The canonical SMILES for 5,6-dihydro-4H-oxadiazine is C1CN=NOC1.
What is the InChIKey of 5,6-dihydro-4H-oxadiazine?
The InChIKey is YDGGOTMMIXPQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O/c1-2-4-5-6-3-1/h1-3H2.
What are the key properties of 5,6-dihydro-4H-oxadiazine?
5,6-dihydro-4H-oxadiazine has a molecular weight of 86.09 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-oxadiazine is sourced from PubChem (CID 21113757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).