4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate

C12H9FN3O2- — CID 162446656

IUPAC4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate
SMILESO=C([O-])c1nnccc1NCc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)7-14-10-5-6-15-16-11(10)12(17)18/h1-6H,7H2,(H,14,15)(H,17,18)/p-1
InChIKeyQFWNCHXWLVCXRJ-UHFFFAOYSA-M
MW246.22 g/mol
LogP0.59
Rot. Bonds4

About 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate

4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate (PubChem CID 162446656) has the molecular formula C12H9FN3O2- and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate
PubChem CID162446656
Molecular FormulaC12H9FN3O2-
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate
SMILESO=C([O-])c1nnccc1NCc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)7-14-10-5-6-15-16-11(10)12(17)18/h1-6H,7H2,(H,14,15)(H,17,18)/p-1
InChIKeyQFWNCHXWLVCXRJ-UHFFFAOYSA-M
XLogP0.59
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridazine-3-carboxylate
CID 59769268
4-(2,6-difluorobenzylamino)-1H-pyrazole-3-carboxylic acid
CID 67327657
4-[2-(2,4,6-Trifluorophenyl)-acetylamino]-pyridazine-3-carboxylic acid ethyl ester
CID 68937298
4-Amino-1-[(2,6-difluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 107344157
4-Amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 107344166
4-Amino-1-[(2,3-difluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 107344317
Methyl 4-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 113948142
Methyl 4-amino-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 113948156
Ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]pyridazine-3-carboxylate
CID 129276811
5-Chloro-4-(4-fluoro-2-methylanilino)pyridazine-3-carboxylic acid
CID 141408410
4-[(4-Fluorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 151578022
4-[[2-(2,4,6-Trifluorophenyl)acetyl]amino]pyridazine-3-carboxylic acid
CID 153787781

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate (CID 162446656) is 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate is O=C([O-])c1nnccc1NCc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate?
The InChIKey is QFWNCHXWLVCXRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)7-14-10-5-6-15-16-11(10)12(17)18/h1-6H,7H2,(H,14,15)(H,17,18)/p-1.
What are the key properties of 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate?
4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate has a molecular weight of 246.22 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 162446656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).