6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile

C18H13FN4O — CID 133432484

IUPAC6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(Oc3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C18H13FN4O/c19-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-21-18-10-5-15(11-20)22-23-18/h1-10H,12H2,(H,21,23)
InChIKeyJUQQRQNSCIRVMI-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.89
Rot. Bonds5

About 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile

6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile (PubChem CID 133432484) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile
PubChem CID133432484
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(Oc3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C18H13FN4O/c19-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-21-18-10-5-15(11-20)22-23-18/h1-10H,12H2,(H,21,23)
InChIKeyJUQQRQNSCIRVMI-UHFFFAOYSA-N
XLogP3.89
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile (CID 133432484) is 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile is N#Cc1ccc(NCc2ccc(Oc3ccc(F)cc3)cc2)nn1.
What is the InChIKey of 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile?
The InChIKey is JUQQRQNSCIRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-14-3-8-17(9-4-14)24-16-6-1-13(2-7-16)12-21-18-10-5-15(11-20)22-23-18/h1-10H,12H2,(H,21,23).
What are the key properties of 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile?
6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile has a molecular weight of 320.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133432484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).