6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid

C11H16N4O3 — CID 115356492

IUPAC6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid
SMILESCC(C)(C)NC(=O)CNc1ccc(C(=O)O)nn1
InChIInChI=1S/C11H16N4O3/c1-11(2,3)13-9(16)6-12-8-5-4-7(10(17)18)14-15-8/h4-5H,6H2,1-3H3,(H,12,15)(H,13,16)(H,17,18)
InChIKeyWQKCBIQSKPQJMW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.50
Rot. Bonds4

About 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid

6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid (PubChem CID 115356492) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid
PubChem CID115356492
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid
SMILESCC(C)(C)NC(=O)CNc1ccc(C(=O)O)nn1
InChIInChI=1S/C11H16N4O3/c1-11(2,3)13-9(16)6-12-8-5-4-7(10(17)18)14-15-8/h4-5H,6H2,1-3H3,(H,12,15)(H,13,16)(H,17,18)
InChIKeyWQKCBIQSKPQJMW-UHFFFAOYSA-N
XLogP0.50
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic 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

6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxamide
CID 112695977
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
6-(3-ethylpentan-3-ylamino)pyridazine-3-carboxylic acid
CID 65041396
N-tert-butyl-2-[(5-chloro-2-pyridinyl)amino]acetamide
CID 79035029
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
2-[(5-amino-6-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 115356046
6-(3-methylsulfanylpropylamino)pyridazine-3-carboxylic acid
CID 63959161
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
N-tert-butyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)acetamide
CID 78988508

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid (CID 115356492) is 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid is CC(C)(C)NC(=O)CNc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid?
The InChIKey is WQKCBIQSKPQJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(2,3)13-9(16)6-12-8-5-4-7(10(17)18)14-15-8/h4-5H,6H2,1-3H3,(H,12,15)(H,13,16)(H,17,18).
What are the key properties of 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid?
6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 115356492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).