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

C13H13N3O3 — CID 15599416

IUPAC4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C3=NNC(=O)CC3)cc21
InChIInChI=1S/C13H13N3O3/c1-16-10-6-8(9-3-5-12(17)15-14-9)2-4-11(10)19-7-13(16)18/h2,4,6H,3,5,7H2,1H3,(H,15,17)
InChIKeyODRGPDYCLSTYLD-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.66
Rot. Bonds1

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

4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one (PubChem CID 15599416) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
PubChem CID15599416
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C3=NNC(=O)CC3)cc21
InChIInChI=1S/C13H13N3O3/c1-16-10-6-8(9-3-5-12(17)15-14-9)2-4-11(10)19-7-13(16)18/h2,4,6H,3,5,7H2,1H3,(H,15,17)
InChIKeyODRGPDYCLSTYLD-UHFFFAOYSA-N
XLogP0.66
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Bemoradan
CID 5362399
4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 15599439
6-(4-oxo-3,4-dihydro-1-phthalazinyl)-2H-1,4-benzoxazin-3(4H)-one
CID 1472681
6-(4-oxo-3,4-dihydro-1-phthalazinyl)-4-propyl-2H-1,4-benzoxazin-3(4H)-one
CID 1480553
N-[2-Methoxy-5-(3-methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-phenyl]-2-phenoxy-acetamide
CID 1848601
N-[2-methoxy-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 1853048
6-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-2H-1,4-benzoxazin-3(4H)-one
CID 9816616
6-(3,4-Dihydro-4-methanesulfonyl-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydropyridazin-3-one
CID 14230055
2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
CID 14875705
2,2,4-trimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 14875707
6-(3,4-Dihydro-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydro-5-methylpyridazin-3-one
CID 15599410
6-(3,4-dihydro-4-methanesulfonyl-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydro-5-methylpyridazin-3-one
CID 15599412

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one (CID 15599416) is 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(C3=NNC(=O)CC3)cc21.
What is the InChIKey of 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The InChIKey is ODRGPDYCLSTYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16-10-6-8(9-3-5-12(17)15-14-9)2-4-11(10)19-7-13(16)18/h2,4,6H,3,5,7H2,1H3,(H,15,17).
What are the key properties of 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one has a molecular weight of 259.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 15599416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).