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

C11H17N3O4 — CID 65114984

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-3-11(2,18)7-12-9(16)6-14-10(17)5-4-8(15)13-14/h4-5,18H,3,6-7H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyVETSGCGADJTCOY-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.19
Rot. Bonds5

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide (PubChem CID 65114984) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
PubChem CID65114984
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-3-11(2,18)7-12-9(16)6-14-10(17)5-4-8(15)13-14/h4-5,18H,3,6-7H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyVETSGCGADJTCOY-UHFFFAOYSA-N
XLogP-1.19
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide (CID 65114984) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide is CCC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The InChIKey is VETSGCGADJTCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-11(2,18)7-12-9(16)6-14-10(17)5-4-8(15)13-14/h4-5,18H,3,6-7H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylbutyl)acetamide has a molecular weight of 255.27 g/mol, XLogP of -1.19, 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-(2-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 65114984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).