6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid

C12H18N4O3 — CID 54990351

IUPAC6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)c1ccc(C(=O)O)nn1
InChIInChI=1S/C12H18N4O3/c1-4-7-16(8-11(17)15(2)3)10-6-5-9(12(18)19)13-14-10/h5-6H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyXFJXNFGEVUXVFZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.48
Rot. Bonds6

About 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid

6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid (PubChem CID 54990351) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
PubChem CID54990351
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)c1ccc(C(=O)O)nn1
InChIInChI=1S/C12H18N4O3/c1-4-7-16(8-11(17)15(2)3)10-6-5-9(12(18)19)13-14-10/h5-6H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyXFJXNFGEVUXVFZ-UHFFFAOYSA-N
XLogP0.48
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54985072
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54984980
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
6-(dipropylamino)-N-propylpyridazine-3-carboxamide
CID 109109285
2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 79177065
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632298
6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid
CID 61442957
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116981

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid (CID 54990351) is 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid is CCCN(CC(=O)N(C)C)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid?
The InChIKey is XFJXNFGEVUXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-7-16(8-11(17)15(2)3)10-6-5-9(12(18)19)13-14-10/h5-6H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid?
6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54990351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).