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

C11H16N4O3 — CID 114392406

IUPAC4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
SMILESCC(Nc1cn[nH]c(=O)c1)C(=O)N1CCOCC1
InChIInChI=1S/C11H16N4O3/c1-8(11(17)15-2-4-18-5-3-15)13-9-6-10(16)14-12-7-9/h6-8H,2-5H2,1H3,(H2,13,14,16)
InChIKeyIISSCJWGXJKVFJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.57
Rot. Bonds3

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

4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one (PubChem CID 114392406) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
PubChem CID114392406
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one
SMILESCC(Nc1cn[nH]c(=O)c1)C(=O)N1CCOCC1
InChIInChI=1S/C11H16N4O3/c1-8(11(17)15-2-4-18-5-3-15)13-9-6-10(16)14-12-7-9/h6-8H,2-5H2,1H3,(H2,13,14,16)
InChIKeyIISSCJWGXJKVFJ-UHFFFAOYSA-N
XLogP-0.57
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one (CID 114392406) is 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one is CC(Nc1cn[nH]c(=O)c1)C(=O)N1CCOCC1.
What is the InChIKey of 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one?
The InChIKey is IISSCJWGXJKVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(11(17)15-2-4-18-5-3-15)13-9-6-10(16)14-12-7-9/h6-8H,2-5H2,1H3,(H2,13,14,16).
What are the key properties of 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one?
4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one has a molecular weight of 252.27 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114392406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).