5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile

C17H20N4 — CID 80508574

IUPAC5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile
SMILESCCc1nnc(N(CC)c2ccccc2)c(C#N)c1CC
InChIInChI=1S/C17H20N4/c1-4-14-15(12-18)17(20-19-16(14)5-2)21(6-3)13-10-8-7-9-11-13/h7-11H,4-6H2,1-3H3
InChIKeyNRKIOBBGTBHHEQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.63
Rot. Bonds5

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

5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile (PubChem CID 80508574) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile
PubChem CID80508574
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile
SMILESCCc1nnc(N(CC)c2ccccc2)c(C#N)c1CC
InChIInChI=1S/C17H20N4/c1-4-14-15(12-18)17(20-19-16(14)5-2)21(6-3)13-10-8-7-9-11-13/h7-11H,4-6H2,1-3H3
InChIKeyNRKIOBBGTBHHEQ-UHFFFAOYSA-N
XLogP3.63
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.63
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-(N-ethylanilino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile (CID 80508574) is 5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile is CCc1nnc(N(CC)c2ccccc2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile?
The InChIKey is NRKIOBBGTBHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-14-15(12-18)17(20-19-16(14)5-2)21(6-3)13-10-8-7-9-11-13/h7-11H,4-6H2,1-3H3.
What are the key properties of 5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.63, 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-(N-ethylanilino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80508574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).