3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid

C13H12FN3O2 — CID 82090396

IUPAC3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
SMILESO=C(O)CCNc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)11-5-6-12(17-16-11)15-8-7-13(18)19/h1-6H,7-8H2,(H,15,17)(H,18,19)
InChIKeyCNKOFDIRVFARRJ-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.17
Rot. Bonds5

About 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid

3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid (PubChem CID 82090396) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
PubChem CID82090396
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
SMILESO=C(O)CCNc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)11-5-6-12(17-16-11)15-8-7-13(18)19/h1-6H,7-8H2,(H,15,17)(H,18,19)
InChIKeyCNKOFDIRVFARRJ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 82484902
3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971920
6-(4-fluorophenyl)-N-(3-methylsulfanylpropyl)pyridazin-3-amine
CID 133305060
6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine
CID 133325228
4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide
CID 133314297
4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide
CID 133277145
4-ethylsulfanyl-2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]butanoic acid
CID 108777948
2-[[6-(4-chlorophenyl)pyridazin-3-yl]amino]ethanol
CID 116971236
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propanoic acid
CID 116971401
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 10949178
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid?
The IUPAC name of 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid (CID 82090396) is 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid is O=C(O)CCNc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid?
The InChIKey is CNKOFDIRVFARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)11-5-6-12(17-16-11)15-8-7-13(18)19/h1-6H,7-8H2,(H,15,17)(H,18,19).
What are the key properties of 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid?
3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid has a molecular weight of 261.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanoic acid is sourced from PubChem (CID 82090396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).