4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one

C14H15N3O3 — CID 15599439

About 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one

4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one (PubChem CID 15599439) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one.

Molecular Properties

• Compound Name: 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
• PubChem CID: 15599439
• Molecular Formula: C14H15N3O3
• Molecular Weight: 273.29 g/mol
• Exact Mass: 273.11
• IUPAC Name: 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
• SMILES: CC1CC(=O)NN=C1c1ccc2c(c1)OCC(=O)N2C
• InChI: InChI=1S/C14H15N3O3/c1-8-5-12(18)15-16-14(8)9-3-4-10-11(6-9)20-7-13(19)17(10)2/h3-4,6,8H,5,7H2,1-2H3,(H,15,18)
• InChIKey: NCYOVCJSAOGGHJ-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.29
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?

The IUPAC name of 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one (CID 15599439) is 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one.

What is the SMILES notation for 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?

The canonical SMILES for 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one is CC1CC(=O)NN=C1c1ccc2c(c1)OCC(=O)N2C.

What is the InChIKey of 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?

The InChIKey is NCYOVCJSAOGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-5-12(18)15-16-14(8)9-3-4-10-11(6-9)20-7-13(19)17(10)2/h3-4,6,8H,5,7H2,1-2H3,(H,15,18).

What are the key properties of 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?

4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one has a molecular weight of 273.29 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 15599439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).