6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid

C13H21N3O3 — CID 115505429

IUPAC6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid
SMILESCC(C)N(CCOc1ccc(C(=O)O)nn1)C(C)C
InChIInChI=1S/C13H21N3O3/c1-9(2)16(10(3)4)7-8-19-12-6-5-11(13(17)18)14-15-12/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)
InChIKeyLENXMVVTEHWPOP-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.67
Rot. Bonds7

About 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid

6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid (PubChem CID 115505429) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid
PubChem CID115505429
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid
SMILESCC(C)N(CCOc1ccc(C(=O)O)nn1)C(C)C
InChIInChI=1S/C13H21N3O3/c1-9(2)16(10(3)4)7-8-19-12-6-5-11(13(17)18)14-15-12/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)
InChIKeyLENXMVVTEHWPOP-UHFFFAOYSA-N
XLogP1.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methoxypyridazine-3-carboxylic acid
CID 12214461
6-(Cyclopentyloxy)pyridazine-3-carboxylic acid
CID 60790842
Ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate
CID 11821471
Methyl 6-methoxypyridazine-3-carboxylate
CID 21817223
6-(2,2,2-Trifluoroethoxy)pyridazine-3-carboxylic acid
CID 60790844
6-(2,2,3,3-Tetrafluoropropoxy)pyridazine-3-carboxylic acid
CID 60791489
Ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
CID 75501044
Methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
CID 86786212
5-Methyl-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid
CID 89873987
6-(2,2,3,3,3-Pentafluoropropoxy)pyridazine-3-carboxylic acid
CID 89874004
6-(2,2-Difluoropropoxy)-5-methylpyridazine-3-carboxylic acid
CID 89874842
5-Methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid
CID 89874899

Frequently Asked Questions

What is the IUPAC name of 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid (CID 115505429) is 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid is CC(C)N(CCOc1ccc(C(=O)O)nn1)C(C)C.
What is the InChIKey of 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid?
The InChIKey is LENXMVVTEHWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)16(10(3)4)7-8-19-12-6-5-11(13(17)18)14-15-12/h5-6,9-10H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid?
6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid is sourced from PubChem (CID 115505429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).