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

C10H15N3O4 — CID 83188671

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide
SMILESCC(CCO)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O4/c1-7(4-5-14)11-9(16)6-13-10(17)3-2-8(15)12-13/h2-3,7,14H,4-6H2,1H3,(H,11,16)(H,12,15)
InChIKeyWAWALOIKFIFWPT-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.58
Rot. Bonds5

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide (PubChem CID 83188671) 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-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide
PubChem CID83188671
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide
SMILESCC(CCO)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O4/c1-7(4-5-14)11-9(16)6-13-10(17)3-2-8(15)12-13/h2-3,7,14H,4-6H2,1H3,(H,11,16)(H,12,15)
InChIKeyWAWALOIKFIFWPT-UHFFFAOYSA-N
XLogP-1.58
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 104857459
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43172649
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43469221
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-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500745
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-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573293
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917536
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55082397

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide (CID 83188671) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide is CC(CCO)NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide?
The InChIKey is WAWALOIKFIFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7(4-5-14)11-9(16)6-13-10(17)3-2-8(15)12-13/h2-3,7,14H,4-6H2,1H3,(H,11,16)(H,12,15).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-hydroxybutan-2-yl)acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.58, 5 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-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 83188671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).