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

C13H15N3O2 — CID 15599410

IUPAC3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)NCCO2
InChIInChI=1S/C13H15N3O2/c1-8-6-12(17)15-16-13(8)9-2-3-11-10(7-9)14-4-5-18-11/h2-3,7-8,14H,4-6H2,1H3,(H,15,17)
InChIKeyFKNGGIVXAZWJLM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.35
Rot. Bonds1

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

3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 15599410) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID15599410
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)NCCO2
InChIInChI=1S/C13H15N3O2/c1-8-6-12(17)15-16-13(8)9-2-3-11-10(7-9)14-4-5-18-11/h2-3,7-8,14H,4-6H2,1H3,(H,15,17)
InChIKeyFKNGGIVXAZWJLM-UHFFFAOYSA-N
XLogP1.35
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 15599410) is 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc2c(c1)NCCO2.
What is the InChIKey of 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is FKNGGIVXAZWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-12(17)15-16-13(8)9-2-3-11-10(7-9)14-4-5-18-11/h2-3,7-8,14H,4-6H2,1H3,(H,15,17).
What are the key properties of 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 245.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 15599410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).