4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid

C11H14ClN3O3 — CID 66247052

IUPAC4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(c1ccc(Cl)nn1)C1COCC1C(=O)O
InChIInChI=1S/C11H14ClN3O3/c1-2-15(10-4-3-9(12)13-14-10)8-6-18-5-7(8)11(16)17/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyGQBQPTCQNCVNNY-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.06
Rot. Bonds4

About 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid

4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66247052) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID66247052
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(c1ccc(Cl)nn1)C1COCC1C(=O)O
InChIInChI=1S/C11H14ClN3O3/c1-2-15(10-4-3-9(12)13-14-10)8-6-18-5-7(8)11(16)17/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyGQBQPTCQNCVNNY-UHFFFAOYSA-N
XLogP1.06
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246649
4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66247641
4-[(4-carbamoyl-6-methyl-2-pyridinyl)-ethylamino]oxolane-3-carboxylic acid
CID 114765479
4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66245857
4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66253038
4-(2-chloro-N-ethyl-4-nitroanilino)oxolane-3-carboxylic acid
CID 66245660
4-(N-ethyl-4-nitroanilino)oxolane-3-carboxylic acid
CID 66245464
4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid
CID 83152967
4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid
CID 66246049
4-[ethyl-(5-nitropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 66245466
4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
CID 103385115
4-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]oxolane-3-carboxylic acid
CID 107543056

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid (CID 66247052) is 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid is CCN(c1ccc(Cl)nn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is GQBQPTCQNCVNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-2-15(10-4-3-9(12)13-14-10)8-6-18-5-7(8)11(16)17/h3-4,7-8H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid?
4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).