2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide

C10H15N3O5 — CID 55083818

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCOCCO
InChIInChI=1S/C10H15N3O5/c14-4-6-18-5-3-11-9(16)7-13-10(17)2-1-8(15)12-13/h1-2,14H,3-7H2,(H,11,16)(H,12,15)
InChIKeyXGHJGVJVIQFOJD-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.34
Rot. Bonds7

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide (PubChem CID 55083818) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
PubChem CID55083818
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCOCCO
InChIInChI=1S/C10H15N3O5/c14-4-6-18-5-3-11-9(16)7-13-10(17)2-1-8(15)12-13/h1-2,14H,3-7H2,(H,11,16)(H,12,15)
InChIKeyXGHJGVJVIQFOJD-UHFFFAOYSA-N
XLogP-2.34
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide (CID 55083818) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCCOCCO.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The InChIKey is XGHJGVJVIQFOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c14-4-6-18-5-3-11-9(16)7-13-10(17)2-1-8(15)12-13/h1-2,14H,3-7H2,(H,11,16)(H,12,15).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide has a molecular weight of 257.25 g/mol, XLogP of -2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide is sourced from PubChem (CID 55083818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).