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

C11H14N4O4 — CID 62897452

IUPAC2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione
SMILESO=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCCN1
InChIInChI=1S/C11H14N4O4/c16-8-2-3-10(18)15(13-8)7-11(19)14-5-1-4-12-9(17)6-14/h2-3H,1,4-7H2,(H,12,17)(H,13,16)
InChIKeyNSMFDYXRWWSAOO-UHFFFAOYSA-N
MW266.26 g/mol
LogP-2.11
Rot. Bonds2

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

2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 62897452) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione
PubChem CID62897452
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione
SMILESO=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCCN1
InChIInChI=1S/C11H14N4O4/c16-8-2-3-10(18)15(13-8)7-11(19)14-5-1-4-12-9(17)6-14/h2-3H,1,4-7H2,(H,12,17)(H,13,16)
InChIKeyNSMFDYXRWWSAOO-UHFFFAOYSA-N
XLogP-2.11
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]ethyl]acetamide
CID 5095960
2-azepan-1-yl-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]acetamide
CID 50958758
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 51082533
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53517567
2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 55023786
1-[2-(Azepan-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634918
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 60636501
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide
CID 60636588
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propylacetamide
CID 60637763
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetamide
CID 60668258
2-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 63002625
2-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63308409

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione (CID 62897452) is 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione is O=C1CN(C(=O)Cn2[nH]c(=O)ccc2=O)CCCN1.
What is the InChIKey of 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is NSMFDYXRWWSAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-8-2-3-10(18)15(13-8)7-11(19)14-5-1-4-12-9(17)6-14/h2-3H,1,4-7H2,(H,12,17)(H,13,16).
What are the key properties of 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione?
2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 266.26 g/mol, XLogP of -2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62897452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).