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

C14H15N3O3 — CID 15599408

IUPAC3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(=O)N1CCOc2ccc(C3=NNC(=O)CC3)cc21
InChIInChI=1S/C14H15N3O3/c1-9(18)17-6-7-20-13-4-2-10(8-12(13)17)11-3-5-14(19)16-15-11/h2,4,8H,3,5-7H2,1H3,(H,16,19)
InChIKeyPOGAOPMSGJTCRK-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.05
Rot. Bonds1

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

3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 15599408) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID15599408
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(=O)N1CCOc2ccc(C3=NNC(=O)CC3)cc21
InChIInChI=1S/C14H15N3O3/c1-9(18)17-6-7-20-13-4-2-10(8-12(13)17)11-3-5-14(19)16-15-11/h2,4,8H,3,5-7H2,1H3,(H,16,19)
InChIKeyPOGAOPMSGJTCRK-UHFFFAOYSA-N
XLogP1.05
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 15599408) is 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one is CC(=O)N1CCOc2ccc(C3=NNC(=O)CC3)cc21.
What is the InChIKey of 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is POGAOPMSGJTCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(18)17-6-7-20-13-4-2-10(8-12(13)17)11-3-5-14(19)16-15-11/h2,4,8H,3,5-7H2,1H3,(H,16,19).
What are the key properties of 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 273.29 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 15599408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).