5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile

C16H16FN3O — CID 80506115

IUPAC5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
SMILESCCc1nnc(OCc2ccccc2F)c(C#N)c1CC
InChIInChI=1S/C16H16FN3O/c1-3-12-13(9-18)16(20-19-15(12)4-2)21-10-11-7-5-6-8-14(11)17/h5-8H,3-4,10H2,1-2H3
InChIKeyYIUYABDZCLJEPI-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.19
Rot. Bonds5

About 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile

5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile (PubChem CID 80506115) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
PubChem CID80506115
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
SMILESCCc1nnc(OCc2ccccc2F)c(C#N)c1CC
InChIInChI=1S/C16H16FN3O/c1-3-12-13(9-18)16(20-19-15(12)4-2)21-10-11-7-5-6-8-14(11)17/h5-8H,3-4,10H2,1-2H3
InChIKeyYIUYABDZCLJEPI-UHFFFAOYSA-N
XLogP3.19
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.19
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-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile (CID 80506115) is 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile is CCc1nnc(OCc2ccccc2F)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile?
The InChIKey is YIUYABDZCLJEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-3-12-13(9-18)16(20-19-15(12)4-2)21-10-11-7-5-6-8-14(11)17/h5-8H,3-4,10H2,1-2H3.
What are the key properties of 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile has a molecular weight of 285.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile is sourced from PubChem (CID 80506115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).