3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid

C11H17N3O3 — CID 80518091

IUPAC3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid
SMILESCN(C)C(C)(C)COc1nnccc1C(=O)O
InChIInChI=1S/C11H17N3O3/c1-11(2,14(3)4)7-17-9-8(10(15)16)5-6-12-13-9/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyNCBWBMJTOKBTHQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.89
Rot. Bonds5

About 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid

3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid (PubChem CID 80518091) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid
PubChem CID80518091
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid
SMILESCN(C)C(C)(C)COc1nnccc1C(=O)O
InChIInChI=1S/C11H17N3O3/c1-11(2,14(3)4)7-17-9-8(10(15)16)5-6-12-13-9/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyNCBWBMJTOKBTHQ-UHFFFAOYSA-N
XLogP0.89
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid (CID 80518091) is 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid is CN(C)C(C)(C)COc1nnccc1C(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid?
The InChIKey is NCBWBMJTOKBTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,14(3)4)7-17-9-8(10(15)16)5-6-12-13-9/h5-6H,7H2,1-4H3,(H,15,16).
What are the key properties of 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid?
3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid has a molecular weight of 239.28 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80518091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).