2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C14H22N4O4 — CID 51082533

IUPAC2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCOCCN1CCCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C14H22N4O4/c1-22-10-9-16-5-2-6-17(8-7-16)14(21)11-18-13(20)4-3-12(19)15-18/h3-4H,2,5-11H2,1H3,(H,15,19)
InChIKeyRMFSENSPTGBGAZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP-1.28
Rot. Bonds5

About 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 51082533) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID51082533
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCOCCN1CCCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C14H22N4O4/c1-22-10-9-16-5-2-6-17(8-7-16)14(21)11-18-13(20)4-3-12(19)15-18/h3-4H,2,5-11H2,1H3,(H,15,19)
InChIKeyRMFSENSPTGBGAZ-UHFFFAOYSA-N
XLogP-1.28
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione with MolForge

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Related Compounds

ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetate
CID 61013010
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetate
CID 61021995
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 61425344
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetate
CID 61600483
2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 62897452
2-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63308409
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 116050958
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 167865719

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 51082533) is 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is COCCN1CCCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is RMFSENSPTGBGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-22-10-9-16-5-2-6-17(8-7-16)14(21)11-18-13(20)4-3-12(19)15-18/h3-4H,2,5-11H2,1H3,(H,15,19).
What are the key properties of 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 310.35 g/mol, XLogP of -1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 51082533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).