5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile

C15H14FN3O — CID 80501923

IUPAC5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(Oc2cccc(F)c2)c(C#N)c1CC
InChIInChI=1S/C15H14FN3O/c1-3-12-13(9-17)15(19-18-14(12)4-2)20-11-7-5-6-10(16)8-11/h5-8H,3-4H2,1-2H3
InChIKeyXVUAKHIAVQANQI-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.40
Rot. Bonds4

About 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile (PubChem CID 80501923) has the molecular formula C15H14FN3O and a molecular weight of 271.29 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile
PubChem CID80501923
Molecular FormulaC15H14FN3O
Molecular Weight271.29 g/mol
Exact Mass271.11
IUPAC Name5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(Oc2cccc(F)c2)c(C#N)c1CC
InChIInChI=1S/C15H14FN3O/c1-3-12-13(9-17)15(19-18-14(12)4-2)20-11-7-5-6-10(16)8-11/h5-8H,3-4H2,1-2H3
InChIKeyXVUAKHIAVQANQI-UHFFFAOYSA-N
XLogP3.40
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile (CID 80501923) is 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile is CCc1nnc(Oc2cccc(F)c2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile?
The InChIKey is XVUAKHIAVQANQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-3-12-13(9-17)15(19-18-14(12)4-2)20-11-7-5-6-10(16)8-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80501923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).