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

C12H19N3O4 — CID 65112300

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-3-12(19,4-2)8-13-10(17)7-15-11(18)6-5-9(16)14-15/h5-6,19H,3-4,7-8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyTZOJVBRTCLDMBJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.80
Rot. Bonds6

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 65112300) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID65112300
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N3O4/c1-3-12(19,4-2)8-13-10(17)7-15-11(18)6-5-9(16)14-15/h5-6,19H,3-4,7-8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyTZOJVBRTCLDMBJ-UHFFFAOYSA-N
XLogP-0.80
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55082397
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110150
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113564
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65114035
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114984
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120324
2-[2-(3-hydroxy-3-propylazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 65927871
2-[2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 65941620
2-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 65950562
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 66169165
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66179679
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79381857

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 65112300) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is TZOJVBRTCLDMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-12(19,4-2)8-13-10(17)7-15-11(18)6-5-9(16)14-15/h5-6,19H,3-4,7-8H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.80, 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-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 65112300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).