1,3,4-oxadiazin-6-one

C3H2N2O2 — CID 22951173

IUPAC1,3,4-oxadiazin-6-one
SMILESO=c1cnnco1
InChIInChI=1S/C3H2N2O2/c6-3-1-4-5-2-7-3/h1-2H
InChIKeyZGHRNEWGHRUQIQ-UHFFFAOYSA-N
MW98.06 g/mol
LogP-0.57
Rot. Bonds

About 1,3,4-oxadiazin-6-one

1,3,4-oxadiazin-6-one (PubChem CID 22951173) has the molecular formula C3H2N2O2 and a molecular weight of 98.06 g/mol. Its IUPAC name is 1,3,4-oxadiazin-6-one.

Molecular Properties

Compound Name1,3,4-oxadiazin-6-one
PubChem CID22951173
Molecular FormulaC3H2N2O2
Molecular Weight98.06 g/mol
Exact Mass98.01
IUPAC Name1,3,4-oxadiazin-6-one
SMILESO=c1cnnco1
InChIInChI=1S/C3H2N2O2/c6-3-1-4-5-2-7-3/h1-2H
InChIKeyZGHRNEWGHRUQIQ-UHFFFAOYSA-N
XLogP-0.57
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.06
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazin-6-one?
The IUPAC name of 1,3,4-oxadiazin-6-one (CID 22951173) is 1,3,4-oxadiazin-6-one.
What is the SMILES notation for 1,3,4-oxadiazin-6-one?
The canonical SMILES for 1,3,4-oxadiazin-6-one is O=c1cnnco1.
What is the InChIKey of 1,3,4-oxadiazin-6-one?
The InChIKey is ZGHRNEWGHRUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O2/c6-3-1-4-5-2-7-3/h1-2H.
What are the key properties of 1,3,4-oxadiazin-6-one?
1,3,4-oxadiazin-6-one has a molecular weight of 98.06 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-oxadiazin-6-one is sourced from PubChem (CID 22951173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).