2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide

C11H17N3O4 — CID 79252825

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CO)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-7(2)8(6-15)12-10(17)5-14-11(18)4-3-9(16)13-14/h3-4,7-8,15H,5-6H2,1-2H3,(H,12,17)(H,13,16)/t8-/m1/s1
InChIKeyNHMYVVFEWNBJIY-MRVPVSSYSA-N
MW255.27 g/mol
LogP-1.33
Rot. Bonds5

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide (PubChem CID 79252825) 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-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
PubChem CID79252825
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CO)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O4/c1-7(2)8(6-15)12-10(17)5-14-11(18)4-3-9(16)13-14/h3-4,7-8,15H,5-6H2,1-2H3,(H,12,17)(H,13,16)/t8-/m1/s1
InChIKeyNHMYVVFEWNBJIY-MRVPVSSYSA-N
XLogP-1.33
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 ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 43170362
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]-3,3-dimethylbutanoic acid
CID 43467397
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
(2S)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 61136916
(2S)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61145075

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide (CID 79252825) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](CO)NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The InChIKey is NHMYVVFEWNBJIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(2)8(6-15)12-10(17)5-14-11(18)4-3-9(16)13-14/h3-4,7-8,15H,5-6H2,1-2H3,(H,12,17)(H,13,16)/t8-/m1/s1.
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide has a molecular weight of 255.27 g/mol, XLogP of -1.33, 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-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 79252825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).