5-pyrrolidin-1-ylpyridazine-3-carboxylic acid

C9H11N3O2 — CID 171084450

IUPAC5-pyrrolidin-1-ylpyridazine-3-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC2)cnn1
InChIInChI=1S/C9H11N3O2/c13-9(14)8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14)
InChIKeySIPFSQOMWXPXKS-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.77
Rot. Bonds2

About 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid

5-pyrrolidin-1-ylpyridazine-3-carboxylic acid (PubChem CID 171084450) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-pyrrolidin-1-ylpyridazine-3-carboxylic acid
PubChem CID171084450
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-pyrrolidin-1-ylpyridazine-3-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC2)cnn1
InChIInChI=1S/C9H11N3O2/c13-9(14)8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14)
InChIKeySIPFSQOMWXPXKS-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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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid?
The IUPAC name of 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid (CID 171084450) is 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid.
What is the SMILES notation for 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid?
The canonical SMILES for 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid is O=C(O)c1cc(N2CCCC2)cnn1.
What is the InChIKey of 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid?
The InChIKey is SIPFSQOMWXPXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14).
What are the key properties of 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid?
5-pyrrolidin-1-ylpyridazine-3-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 5-pyrrolidin-1-ylpyridazine-3-carboxylic acid is sourced from PubChem (CID 171084450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).