4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid

C10H14N2O4 — CID 65248241

IUPAC4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid
SMILESCC(C)(CCn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-10(2,9(15)16)5-6-12-8(14)4-3-7(13)11-12/h3-4H,5-6H2,1-2H3,(H,11,13)(H,15,16)
InChIKeySRBLYMKXJIQTLO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.04
Rot. Bonds4

About 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid

4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid (PubChem CID 65248241) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid
PubChem CID65248241
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid
SMILESCC(C)(CCn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-10(2,9(15)16)5-6-12-8(14)4-3-7(13)11-12/h3-4H,5-6H2,1-2H3,(H,11,13)(H,15,16)
InChIKeySRBLYMKXJIQTLO-UHFFFAOYSA-N
XLogP0.04
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,6-dioxo-1H-pyridazin-2-yl)butanoic acid
CID 20119325
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]butanoic acid
CID 43359933
methyl 4-(3,6-dioxo-1H-pyridazin-2-yl)butanoate
CID 43378327
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146571
4-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)butanoic acid
CID 63271349
4-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid
CID 65247645
5-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpentanoic acid
CID 65255153
2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid
CID 65496126
3-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpropanoic acid
CID 79629259
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538617
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 81065037
2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]-2-methylbutanoic acid
CID 81941609

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid (CID 65248241) is 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid is CC(C)(CCn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid?
The InChIKey is SRBLYMKXJIQTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(2,9(15)16)5-6-12-8(14)4-3-7(13)11-12/h3-4H,5-6H2,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid?
4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65248241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).