2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide

C10H15N3O4 — CID 106843011

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCCCO
InChIInChI=1S/C10H15N3O4/c14-6-2-1-5-11-9(16)7-13-10(17)4-3-8(15)12-13/h3-4,14H,1-2,5-7H2,(H,11,16)(H,12,15)
InChIKeyZUAWGXMVGDTNSS-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.57
Rot. Bonds6

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide (PubChem CID 106843011) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide
PubChem CID106843011
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCCCO
InChIInChI=1S/C10H15N3O4/c14-6-2-1-5-11-9(16)7-13-10(17)4-3-8(15)12-13/h3-4,14H,1-2,5-7H2,(H,11,16)(H,12,15)
InChIKeyZUAWGXMVGDTNSS-UHFFFAOYSA-N
XLogP-1.57
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 104857459
2-(4-hydroxybutyl)-1H-pyridazine-3,6-dione
CID 10261794
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43170711
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500440
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43501076
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 43501159
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 61233604
N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61448247
2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62371663
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 64911783

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide (CID 106843011) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCCCCO.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide?
The InChIKey is ZUAWGXMVGDTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-6-2-1-5-11-9(16)7-13-10(17)4-3-8(15)12-13/h3-4,14H,1-2,5-7H2,(H,11,16)(H,12,15).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutyl)acetamide is sourced from PubChem (CID 106843011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).