6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid

C10H13N3O3 — CID 103534319

IUPAC6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
SMILESCOC1CCN(c2ccc(C(=O)O)nn2)C1
InChIInChI=1S/C10H13N3O3/c1-16-7-4-5-13(6-7)9-3-2-8(10(14)15)11-12-9/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyCBVJZQRXODIOST-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.40
Rot. Bonds3

About 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid

6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 103534319) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
PubChem CID103534319
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
SMILESCOC1CCN(c2ccc(C(=O)O)nn2)C1
InChIInChI=1S/C10H13N3O3/c1-16-7-4-5-13(6-7)9-3-2-8(10(14)15)11-12-9/h2-3,7H,4-6H2,1H3,(H,14,15)
InChIKeyCBVJZQRXODIOST-UHFFFAOYSA-N
XLogP0.40
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine
CID 108773106
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 123494824
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid (CID 103534319) is 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid is COC1CCN(c2ccc(C(=O)O)nn2)C1.
What is the InChIKey of 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is CBVJZQRXODIOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-7-4-5-13(6-7)9-3-2-8(10(14)15)11-12-9/h2-3,7H,4-6H2,1H3,(H,14,15).
What are the key properties of 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid?
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 103534319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).