5H-pyridazino[3,4-b][1,4]oxazin-6-one

C6H5N3O2 — CID 118023009

IUPAC5H-pyridazino[3,4-b][1,4]oxazin-6-one
SMILESO=C1COc2nnccc2N1
InChIInChI=1S/C6H5N3O2/c10-5-3-11-6-4(8-5)1-2-7-9-6/h1-2H,3H2,(H,8,10)
InChIKeySRHCRLTWJGTNEO-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.19
Rot. Bonds

About 5H-pyridazino[3,4-b][1,4]oxazin-6-one

5H-pyridazino[3,4-b][1,4]oxazin-6-one (PubChem CID 118023009) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 5H-pyridazino[3,4-b][1,4]oxazin-6-one.

Molecular Properties

Compound Name5H-pyridazino[3,4-b][1,4]oxazin-6-one
PubChem CID118023009
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name5H-pyridazino[3,4-b][1,4]oxazin-6-one
SMILESO=C1COc2nnccc2N1
InChIInChI=1S/C6H5N3O2/c10-5-3-11-6-4(8-5)1-2-7-9-6/h1-2H,3H2,(H,8,10)
InChIKeySRHCRLTWJGTNEO-UHFFFAOYSA-N
XLogP-0.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-pyridazino[3,4-b][1,4]oxazin-6-one?
The IUPAC name of 5H-pyridazino[3,4-b][1,4]oxazin-6-one (CID 118023009) is 5H-pyridazino[3,4-b][1,4]oxazin-6-one.
What is the SMILES notation for 5H-pyridazino[3,4-b][1,4]oxazin-6-one?
The canonical SMILES for 5H-pyridazino[3,4-b][1,4]oxazin-6-one is O=C1COc2nnccc2N1.
What is the InChIKey of 5H-pyridazino[3,4-b][1,4]oxazin-6-one?
The InChIKey is SRHCRLTWJGTNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-5-3-11-6-4(8-5)1-2-7-9-6/h1-2H,3H2,(H,8,10).
What are the key properties of 5H-pyridazino[3,4-b][1,4]oxazin-6-one?
5H-pyridazino[3,4-b][1,4]oxazin-6-one has a molecular weight of 151.12 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyridazino[3,4-b][1,4]oxazin-6-one is sourced from PubChem (CID 118023009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).