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

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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).