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

C10H15N3O4 — CID 65031435

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O4/c1-7(6-14)4-11-9(16)5-13-10(17)3-2-8(15)12-13/h2-3,7,14H,4-6H2,1H3,(H,11,16)(H,12,15)
InChIKeyRAQSPPPOTPKGEJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.72
Rot. Bonds5

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

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 65031435) 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-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID65031435
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCC(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H15N3O4/c1-7(6-14)4-11-9(16)5-13-10(17)3-2-8(15)12-13/h2-3,7,14H,4-6H2,1H3,(H,11,16)(H,12,15)
InChIKeyRAQSPPPOTPKGEJ-UHFFFAOYSA-N
XLogP-1.72
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 104857459
2-[2-[(Z)-but-2-enoyl]hydrazinyl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 145667823
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
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-(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-(2-methylpropyl)acetamide
CID 60636934
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60960706

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide (CID 65031435) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide is CC(CO)CNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is RAQSPPPOTPKGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7(6-14)4-11-9(16)5-13-10(17)3-2-8(15)12-13/h2-3,7,14H,4-6H2,1H3,(H,11,16)(H,12,15).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxy-2-methylpropyl)acetamide has a molecular weight of 241.25 g/mol, XLogP of -1.72, 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-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65031435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).