methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate

C15H16FN3O2 — CID 133350668

IUPACmethyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C)C(C)c2ccc(F)cc2)nn1
InChIInChI=1S/C15H16FN3O2/c1-10(11-4-6-12(16)7-5-11)19(2)14-9-8-13(17-18-14)15(20)21-3/h4-10H,1-3H3
InChIKeyMHNNVMIZWIDWAC-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.60
Rot. Bonds4

About methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate

methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate (PubChem CID 133350668) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate
PubChem CID133350668
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Namemethyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C)C(C)c2ccc(F)cc2)nn1
InChIInChI=1S/C15H16FN3O2/c1-10(11-4-6-12(16)7-5-11)19(2)14-9-8-13(17-18-14)15(20)21-3/h4-10H,1-3H3
InChIKeyMHNNVMIZWIDWAC-UHFFFAOYSA-N
XLogP2.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(dimethylamino)pyridazine-3-carboxylate
CID 121206143
3-[(6-methoxycarbonylpyridazin-3-yl)-methylamino]-2-methylpropanoic acid
CID 55007390
N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide
CID 167919391
methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
CID 75377047
methyl 2-[1-(4-fluorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113306846
methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate
CID 146166532
methyl 2-methyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]pyridine-3-carboxylate
CID 167908776
methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate
CID 154774698
methyl 3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]benzoate
CID 51335257
1-[(1R)-1-(4-fluorophenyl)ethyl]-1-methyl-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 51945484
methyl 4-[(E)-3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxoprop-1-enyl]benzoate
CID 51267119
6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54981127

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate (CID 133350668) is methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(N(C)C(C)c2ccc(F)cc2)nn1.
What is the InChIKey of methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate?
The InChIKey is MHNNVMIZWIDWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10(11-4-6-12(16)7-5-11)19(2)14-9-8-13(17-18-14)15(20)21-3/h4-10H,1-3H3.
What are the key properties of methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate?
methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 133350668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).