5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one

C11H15BrN4O3 — CID 114386240

IUPAC5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
SMILESCC(Nc1cn[nH]c(=O)c1Br)C(=O)N1CCOCC1
InChIInChI=1S/C11H15BrN4O3/c1-7(11(18)16-2-4-19-5-3-16)14-8-6-13-15-10(17)9(8)12/h6-7H,2-5H2,1H3,(H2,14,15,17)
InChIKeyPRFMJFOXQVXCFF-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.19
Rot. Bonds3

About 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one

5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one (PubChem CID 114386240) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
PubChem CID114386240
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
SMILESCC(Nc1cn[nH]c(=O)c1Br)C(=O)N1CCOCC1
InChIInChI=1S/C11H15BrN4O3/c1-7(11(18)16-2-4-19-5-3-16)14-8-6-13-15-10(17)9(8)12/h6-7H,2-5H2,1H3,(H2,14,15,17)
InChIKeyPRFMJFOXQVXCFF-UHFFFAOYSA-N
XLogP0.19
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide
CID 115577016
2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104777234
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 115898996
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-3-methylbutanamide
CID 106346090
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112749321
2-[(8-bromoquinolin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 133447521
2-(4,5-dihydro-1H-imidazol-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114400401
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 47470284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one (CID 114386240) is 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one is CC(Nc1cn[nH]c(=O)c1Br)C(=O)N1CCOCC1.
What is the InChIKey of 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one?
The InChIKey is PRFMJFOXQVXCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c1-7(11(18)16-2-4-19-5-3-16)14-8-6-13-15-10(17)9(8)12/h6-7H,2-5H2,1H3,(H2,14,15,17).
What are the key properties of 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one?
5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one has a molecular weight of 331.17 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114386240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).