6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid

C13H12FN3O2 — CID 60790544

IUPAC6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)7-8-15-12-6-5-11(13(18)19)16-17-12/h1-6H,7-8H2,(H,15,17)(H,18,19)
InChIKeyXUCDHDLUIDCACI-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.97
Rot. Bonds5

About 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid

6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid (PubChem CID 60790544) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid
PubChem CID60790544
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2ccc(F)cc2)nn1
InChIInChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)7-8-15-12-6-5-11(13(18)19)16-17-12/h1-6H,7-8H2,(H,15,17)(H,18,19)
InChIKeyXUCDHDLUIDCACI-UHFFFAOYSA-N
XLogP1.97
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-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 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid (CID 60790544) is 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid is O=C(O)c1ccc(NCCc2ccc(F)cc2)nn1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid?
The InChIKey is XUCDHDLUIDCACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)7-8-15-12-6-5-11(13(18)19)16-17-12/h1-6H,7-8H2,(H,15,17)(H,18,19).
What are the key properties of 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid?
6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 60790544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).