7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one

C44H33N17O12 — CID 161289902

About 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one

7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one (PubChem CID 161289902) has the molecular formula C44H33N17O12 and a molecular weight of 991.85 g/mol. Its IUPAC name is 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one.

Molecular Properties

• Compound Name: 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one
• PubChem CID: 161289902
• Molecular Formula: C44H33N17O12
• Molecular Weight: 991.85 g/mol
• Exact Mass: 991.25
• IUPAC Name: 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one
• SMILES: Cc1cc(=O)c2nncnc2o1.Cc1cnc2c(=O)ncoc2c1C.Cc1cnc2c(=O)ncoc2n1.Cc1cnnc2ocnc(=O)c12.Cc1coc2nncnc2c1=O.Cc1ncnc2c(=O)ncoc12
• InChI: InChI=1S/C9H8N2O2.5C7H5N3O2/c1-5-3-10-7-8(6(5)2)13-4-11-9(7)12;1-4-6-5(9-2-8-4)7(11)10-3-12-6;1-4-2-8-5-6(11)9-3-12-7(5)10-4;1-4-2-12-7-5(6(4)11)8-3-9-10-7;1-4-2-9-10-7-5(4)6(11)8-3-12-7;1-4-2-5(11)6-7(12-4)8-3-9-10-6/h3-4H,1-2H3;5*2-3H,1H3
• InChIKey: VGFDQFFZBWTJCK-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 400.39 Ų
• H-Bond Acceptors: 29
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.85
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one?

The IUPAC name of 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one (CID 161289902) is 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one.

What is the SMILES notation for 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one?

The canonical SMILES for 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one is Cc1cc(=O)c2nncnc2o1.Cc1cnc2c(=O)ncoc2c1C.Cc1cnc2c(=O)ncoc2n1.Cc1cnnc2ocnc(=O)c12.Cc1coc2nncnc2c1=O.Cc1ncnc2c(=O)ncoc12.

What is the InChIKey of 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one?

The InChIKey is VGFDQFFZBWTJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.5C7H5N3O2/c1-5-3-10-7-8(6(5)2)13-4-11-9(7)12;1-4-6-5(9-2-8-4)7(11)10-3-12-6;1-4-2-8-5-6(11)9-3-12-7(5)10-4;1-4-2-12-7-5(6(4)11)8-3-9-10-7;1-4-2-9-10-7-5(4)6(11)8-3-12-7;1-4-2-5(11)6-7(12-4)8-3-9-10-6/h3-4H,1-2H3;5*2-3H,1H3.

What are the key properties of 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one?

7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one has a molecular weight of 991.85 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8-dimethylpyrido[2,3-e][1,3]oxazin-4-one;6-methylpyrano[2,3-e][1,2,4]triazin-8-one;6-methylpyrano[3,2-e][1,2,4]triazin-5-one;7-methylpyrazino[2,3-e][1,3]oxazin-4-one;4-methylpyridazino[4,3-e][1,3]oxazin-5-one;8-methylpyrimido[4,5-e][1,3]oxazin-4-one is sourced from PubChem (CID 161289902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).