3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid

C10H13N3O2 — CID 91382095

IUPAC3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid
SMILESCc1ccc(C2CCN(C(=O)O)C2)nn1
InChIInChI=1S/C10H13N3O2/c1-7-2-3-9(12-11-7)8-4-5-13(6-8)10(14)15/h2-3,8H,4-6H2,1H3,(H,14,15)
InChIKeyGSIPHKNHRDDAHN-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.25
Rot. Bonds1

About 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid

3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid (PubChem CID 91382095) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid
PubChem CID91382095
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid
SMILESCc1ccc(C2CCN(C(=O)O)C2)nn1
InChIInChI=1S/C10H13N3O2/c1-7-2-3-9(12-11-7)8-4-5-13(6-8)10(14)15/h2-3,8H,4-6H2,1H3,(H,14,15)
InChIKeyGSIPHKNHRDDAHN-UHFFFAOYSA-N
XLogP1.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-methylpyridazin-3-yl)pyrrolidine-1-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

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid (CID 91382095) is 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid is Cc1ccc(C2CCN(C(=O)O)C2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is GSIPHKNHRDDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-2-3-9(12-11-7)8-4-5-13(6-8)10(14)15/h2-3,8H,4-6H2,1H3,(H,14,15).
What are the key properties of 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid?
3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91382095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).