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

C14H15N3O3 — CID 15599419

IUPAC2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C14H15N3O3/c1-7-5-12(18)16-17-13(7)9-3-4-11-10(6-9)15-14(19)8(2)20-11/h3-4,6-8H,5H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyBCIUFOLSCVXCIO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.27
Rot. Bonds1

About 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one

2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 15599419) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
PubChem CID15599419
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C14H15N3O3/c1-7-5-12(18)16-17-13(7)9-3-4-11-10(6-9)15-14(19)8(2)20-11/h3-4,6-8H,5H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyBCIUFOLSCVXCIO-UHFFFAOYSA-N
XLogP1.27
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one (CID 15599419) is 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one is CC1CC(=O)NN=C1c1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is BCIUFOLSCVXCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7-5-12(18)16-17-13(7)9-3-4-11-10(6-9)15-14(19)8(2)20-11/h3-4,6-8H,5H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 273.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 15599419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).