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

C10H15N3O4 — CID 65110150

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O4/c1-10(2,17)6-11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,17H,5-6H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyWATCZUBBMTXMBA-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.58
Rot. Bonds4

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 65110150) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID65110150
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O4/c1-10(2,17)6-11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,17H,5-6H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyWATCZUBBMTXMBA-UHFFFAOYSA-N
XLogP-1.58
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(Z)-but-2-enoyl]hydrazinyl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 145667823
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43354354
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-hydroxyethyl)acetamide
CID 43388954
2-[[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465285
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-ethyl-N-(2-hydroxyethyl)acetamide
CID 54878646
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-ethylamino]acetic acid
CID 54901506
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 60636501

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide (CID 65110150) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide is CC(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-methylpropyl)acetamide?
The InChIKey is WATCZUBBMTXMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,17)6-11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,17H,5-6H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.58, 4 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-methylpropyl)acetamide is sourced from PubChem (CID 65110150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).