3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid

C11H18N4O2 — CID 80517538

IUPAC3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
SMILESCCN(CC)CCNc1nnccc1C(=O)O
InChIInChI=1S/C11H18N4O2/c1-3-15(4-2)8-7-12-10-9(11(16)17)5-6-13-14-10/h5-6H,3-4,7-8H2,1-2H3,(H,12,14)(H,16,17)
InChIKeySNMJCGJSSSGYJY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.93
Rot. Bonds7

About 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid

3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid (PubChem CID 80517538) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
PubChem CID80517538
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
SMILESCCN(CC)CCNc1nnccc1C(=O)O
InChIInChI=1S/C11H18N4O2/c1-3-15(4-2)8-7-12-10-9(11(16)17)5-6-13-14-10/h5-6H,3-4,7-8H2,1-2H3,(H,12,14)(H,16,17)
InChIKeySNMJCGJSSSGYJY-UHFFFAOYSA-N
XLogP0.93
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
CID 80516830
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106178584
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 114186957
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80686824
3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517663
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid
CID 80516950
3-(3-methylpentan-2-ylamino)pyridazine-4-carboxylic acid
CID 80517927

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid (CID 80517538) is 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid is CCN(CC)CCNc1nnccc1C(=O)O.
What is the InChIKey of 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid?
The InChIKey is SNMJCGJSSSGYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-15(4-2)8-7-12-10-9(11(16)17)5-6-13-14-10/h5-6H,3-4,7-8H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid?
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).