2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile

C19H15FN4 — CID 10313800

IUPAC2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile
SMILESCCNc1cc(-c2cccc(-c3ccc(F)cc3C#N)c2)cnn1
InChIInChI=1S/C19H15FN4/c1-2-22-19-10-16(12-23-24-19)13-4-3-5-14(8-13)18-7-6-17(20)9-15(18)11-21/h3-10,12H,2H2,1H3,(H,22,24)
InChIKeyBFHVDYUBFLVJMU-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.25
Rot. Bonds4

About 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile

2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile (PubChem CID 10313800) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile
PubChem CID10313800
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile
SMILESCCNc1cc(-c2cccc(-c3ccc(F)cc3C#N)c2)cnn1
InChIInChI=1S/C19H15FN4/c1-2-22-19-10-16(12-23-24-19)13-4-3-5-14(8-13)18-7-6-17(20)9-15(18)11-21/h3-10,12H,2H2,1H3,(H,22,24)
InChIKeyBFHVDYUBFLVJMU-UHFFFAOYSA-N
XLogP4.25
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile?
The IUPAC name of 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile (CID 10313800) is 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile is CCNc1cc(-c2cccc(-c3ccc(F)cc3C#N)c2)cnn1.
What is the InChIKey of 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile?
The InChIKey is BFHVDYUBFLVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-2-22-19-10-16(12-23-24-19)13-4-3-5-14(8-13)18-7-6-17(20)9-15(18)11-21/h3-10,12H,2H2,1H3,(H,22,24).
What are the key properties of 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile?
2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile has a molecular weight of 318.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(ethylamino)pyridazin-4-yl]phenyl]-5-fluorobenzonitrile is sourced from PubChem (CID 10313800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).