2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

C11H17N3O4 — CID 79381857

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-11(2,18)7-13(3)10(17)6-14-9(16)5-4-8(15)12-14/h4-5,18H,6-7H2,1-3H3,(H,12,15)
InChIKeyIVLJIKMYBBLGJM-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.23
Rot. Bonds4

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 79381857) 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-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID79381857
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-11(2,18)7-13(3)10(17)6-14-9(16)5-4-8(15)12-14/h4-5,18H,6-7H2,1-3H3,(H,12,15)
InChIKeyIVLJIKMYBBLGJM-UHFFFAOYSA-N
XLogP-1.23
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
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-ethyl-N-(2-hydroxyethyl)acetamide
CID 54878646
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid
CID 54901506
2-[butan-2-yl-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 60829222
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetic acid
CID 60831051
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60960706
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propylamino]acetic acid
CID 61013302
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 61233604
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 61425344
N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61448247

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (CID 79381857) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is CN(CC(C)(C)O)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is IVLJIKMYBBLGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,18)7-13(3)10(17)6-14-9(16)5-4-8(15)12-14/h4-5,18H,6-7H2,1-3H3,(H,12,15).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 255.27 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 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-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 79381857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).