2H-pyridazino[3,4-e]oxazine

C6H5N3O — CID 141159670

IUPAC2H-pyridazino[3,4-e]oxazine
SMILESC1=Cc2nnccc2ON1
InChIInChI=1S/C6H5N3O/c1-4-8-10-6-2-3-7-9-5(1)6/h1-4,8H
InChIKeyJOSCUQDDWTUNJH-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.34
Rot. Bonds

About 2H-pyridazino[3,4-e]oxazine

2H-pyridazino[3,4-e]oxazine (PubChem CID 141159670) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 2H-pyridazino[3,4-e]oxazine.

Molecular Properties

Compound Name2H-pyridazino[3,4-e]oxazine
PubChem CID141159670
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name2H-pyridazino[3,4-e]oxazine
SMILESC1=Cc2nnccc2ON1
InChIInChI=1S/C6H5N3O/c1-4-8-10-6-2-3-7-9-5(1)6/h1-4,8H
InChIKeyJOSCUQDDWTUNJH-UHFFFAOYSA-N
XLogP0.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridazino[3,4-e]oxazine?
The IUPAC name of 2H-pyridazino[3,4-e]oxazine (CID 141159670) is 2H-pyridazino[3,4-e]oxazine.
What is the SMILES notation for 2H-pyridazino[3,4-e]oxazine?
The canonical SMILES for 2H-pyridazino[3,4-e]oxazine is C1=Cc2nnccc2ON1.
What is the InChIKey of 2H-pyridazino[3,4-e]oxazine?
The InChIKey is JOSCUQDDWTUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-8-10-6-2-3-7-9-5(1)6/h1-4,8H.
What are the key properties of 2H-pyridazino[3,4-e]oxazine?
2H-pyridazino[3,4-e]oxazine has a molecular weight of 135.13 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridazino[3,4-e]oxazine is sourced from PubChem (CID 141159670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).