3-pyrrolidin-1-ylpyridazine-4-carboxylic acid

C9H11N3O2 — CID 80517688

IUPAC3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1N1CCCC1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-11-8(7)12-5-1-2-6-12/h3-4H,1-2,5-6H2,(H,13,14)
InChIKeyCBNRMPJMBJHWAL-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.77
Rot. Bonds2

About 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid

3-pyrrolidin-1-ylpyridazine-4-carboxylic acid (PubChem CID 80517688) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
PubChem CID80517688
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1N1CCCC1
InChIInChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-11-8(7)12-5-1-2-6-12/h3-4H,1-2,5-6H2,(H,13,14)
InChIKeyCBNRMPJMBJHWAL-UHFFFAOYSA-N
XLogP0.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
CID 80517729
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517330
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80516938
2-(azepan-1-yl)-3-chloropyridine-4-carboxylic acid
CID 107062188
3-(4-iodopyrazol-1-yl)pyridazine-4-carboxylic acid
CID 80517371
3-(3,3-dimethylmorpholin-4-yl)pyridazine-4-carboxylic acid
CID 80516600
3-(3-propan-2-ylpyrazol-1-yl)pyridazine-4-carboxylic acid
CID 80517428
3-(5-phenyltetrazol-2-yl)pyridazine-4-carboxylic acid
CID 80517200
3-(4,4-dimethylazepan-1-yl)pyridazine-4-carbothioamide
CID 80511713
3-(4-nitroimidazol-1-yl)pyridazine-4-carboxylic acid
CID 80517400
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carboxylic acid
CID 80517230

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid?
The IUPAC name of 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid (CID 80517688) is 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid is O=C(O)c1ccnnc1N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid?
The InChIKey is CBNRMPJMBJHWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)7-3-4-10-11-8(7)12-5-1-2-6-12/h3-4H,1-2,5-6H2,(H,13,14).
What are the key properties of 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid?
3-pyrrolidin-1-ylpyridazine-4-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 80517688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).