4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

C16H20N4O3S — CID 16676603

IUPAC4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC1CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)CC(C)O1
InChIInChI=1S/C16H20N4O3S/c1-10-7-19(8-11(2)23-10)15(21)9-20-16(22)12(17)6-13(18-20)14-4-3-5-24-14/h3-6,10-11H,7-9,17H2,1-2H3
InChIKeyPXCYULNFGWMMLS-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.19
Rot. Bonds3

About 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one

4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16676603) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16676603
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC1CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)CC(C)O1
InChIInChI=1S/C16H20N4O3S/c1-10-7-19(8-11(2)23-10)15(21)9-20-16(22)12(17)6-13(18-20)14-4-3-5-24-14/h3-6,10-11H,7-9,17H2,1-2H3
InChIKeyPXCYULNFGWMMLS-UHFFFAOYSA-N
XLogP1.19
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one (CID 16676603) is 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is CC1CN(C(=O)Cn2nc(-c3cccs3)cc(N)c2=O)CC(C)O1.
What is the InChIKey of 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is PXCYULNFGWMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10-7-19(8-11(2)23-10)15(21)9-20-16(22)12(17)6-13(18-20)14-4-3-5-24-14/h3-6,10-11H,7-9,17H2,1-2H3.
What are the key properties of 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one?
4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 348.43 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16676603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).