2H-1,2,3-benzoxadiazine

C7H6N2O — CID 22569929

IUPAC2H-1,2,3-benzoxadiazine
SMILESC1=NNOc2ccccc21
InChIInChI=1S/C7H6N2O/c1-2-4-7-6(3-1)5-8-9-10-7/h1-5,9H
InChIKeyIIGPLHDJKDEXJA-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.92
Rot. Bonds

About 2H-1,2,3-benzoxadiazine

2H-1,2,3-benzoxadiazine (PubChem CID 22569929) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2H-1,2,3-benzoxadiazine.

Molecular Properties

Compound Name2H-1,2,3-benzoxadiazine
PubChem CID22569929
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2H-1,2,3-benzoxadiazine
SMILESC1=NNOc2ccccc21
InChIInChI=1S/C7H6N2O/c1-2-4-7-6(3-1)5-8-9-10-7/h1-5,9H
InChIKeyIIGPLHDJKDEXJA-UHFFFAOYSA-N
XLogP0.92
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,2,3-benzoxadiazine?
The IUPAC name of 2H-1,2,3-benzoxadiazine (CID 22569929) is 2H-1,2,3-benzoxadiazine.
What is the SMILES notation for 2H-1,2,3-benzoxadiazine?
The canonical SMILES for 2H-1,2,3-benzoxadiazine is C1=NNOc2ccccc21.
What is the InChIKey of 2H-1,2,3-benzoxadiazine?
The InChIKey is IIGPLHDJKDEXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-2-4-7-6(3-1)5-8-9-10-7/h1-5,9H.
What are the key properties of 2H-1,2,3-benzoxadiazine?
2H-1,2,3-benzoxadiazine has a molecular weight of 134.14 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2,3-benzoxadiazine is sourced from PubChem (CID 22569929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).