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

C9H13N3O4 — CID 43500367

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCCO
InChIInChI=1S/C9H13N3O4/c13-5-1-4-10-8(15)6-12-9(16)3-2-7(14)11-12/h2-3,13H,1,4-6H2,(H,10,15)(H,11,14)
InChIKeyKIZRHWYSVOTGCG-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.96
Rot. Bonds5

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide (PubChem CID 43500367) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
PubChem CID43500367
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCCCO
InChIInChI=1S/C9H13N3O4/c13-5-1-4-10-8(15)6-12-9(16)3-2-7(14)11-12/h2-3,13H,1,4-6H2,(H,10,15)(H,11,14)
InChIKeyKIZRHWYSVOTGCG-UHFFFAOYSA-N
XLogP-1.96
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.96
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
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 105648967
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 107363286
2-[2-[(Z)-but-2-enoyl]hydrazinyl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 145667823
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170623
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
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-hydroxypropyl)-1H-pyridazine-3,6-dione
CID 43509863
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 54878646

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide (CID 43500367) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCCCO.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is KIZRHWYSVOTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c13-5-1-4-10-8(15)6-12-9(16)3-2-7(14)11-12/h2-3,13H,1,4-6H2,(H,10,15)(H,11,14).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 227.22 g/mol, XLogP of -1.96, 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-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 43500367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).