5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride

C11H15ClN2O3 — CID 66592532

IUPAC5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride
SMILESCOc1nnc(C(=O)O)cc1C1CCCC1.Cl
InChIInChI=1S/C11H14N2O3.ClH/c1-16-10-8(7-4-2-3-5-7)6-9(11(14)15)12-13-10;/h6-7H,2-5H2,1H3,(H,14,15);1H
InChIKeyGCDRFCLXNZQFPO-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.26
Rot. Bonds3

About 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride

5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride (PubChem CID 66592532) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride
PubChem CID66592532
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride
SMILESCOc1nnc(C(=O)O)cc1C1CCCC1.Cl
InChIInChI=1S/C11H14N2O3.ClH/c1-16-10-8(7-4-2-3-5-7)6-9(11(14)15)12-13-10;/h6-7H,2-5H2,1H3,(H,14,15);1H
InChIKeyGCDRFCLXNZQFPO-UHFFFAOYSA-N
XLogP2.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride (CID 66592532) is 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride is COc1nnc(C(=O)O)cc1C1CCCC1.Cl.
What is the InChIKey of 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride?
The InChIKey is GCDRFCLXNZQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.ClH/c1-16-10-8(7-4-2-3-5-7)6-9(11(14)15)12-13-10;/h6-7H,2-5H2,1H3,(H,14,15);1H.
What are the key properties of 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride?
5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 66592532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).