5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid

C14H23N3O3 — CID 114398126

IUPAC5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid
SMILESCCN(C)c1cnn(CCCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C14H23N3O3/c1-5-16(4)11-9-12(18)17(15-10-11)8-6-7-14(2,3)13(19)20/h9-10H,5-8H2,1-4H3,(H,19,20)
InChIKeyKIWSDQFBLXBAAD-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.59
Rot. Bonds7

About 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid

5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid (PubChem CID 114398126) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid
PubChem CID114398126
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid
SMILESCCN(C)c1cnn(CCCC(C)(C)C(=O)O)c(=O)c1
InChIInChI=1S/C14H23N3O3/c1-5-16(4)11-9-12(18)17(15-10-11)8-6-7-14(2,3)13(19)20/h9-10H,5-8H2,1-4H3,(H,19,20)
InChIKeyKIWSDQFBLXBAAD-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic 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

1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxylic acid
CID 90487989
2,2-Dimethyl-5-(6-oxopyridazin-1-yl)pentanoic acid
CID 65254803
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxylic acid
CID 99728090
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxylic acid
CID 99728091
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106549139
6-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanoic acid
CID 106714216
6-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylhexanoic acid
CID 106714217
5-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoic acid
CID 113579308
6-[4-(Dimethylamino)-6-oxopyridazin-1-yl]hexanoic acid
CID 113579315
6-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]hexanoic acid
CID 113579339
5-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid
CID 113579747
4-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanoic acid
CID 113579763

Frequently Asked Questions

What is the IUPAC name of 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid (CID 114398126) is 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid is CCN(C)c1cnn(CCCC(C)(C)C(=O)O)c(=O)c1.
What is the InChIKey of 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid?
The InChIKey is KIWSDQFBLXBAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-16(4)11-9-12(18)17(15-10-11)8-6-7-14(2,3)13(19)20/h9-10H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid?
5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 114398126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).