5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile

C17H19N3O — CID 80505750

IUPAC5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OC(C)c2ccccc2)c(C#N)c1CC
InChIInChI=1S/C17H19N3O/c1-4-14-15(11-18)17(20-19-16(14)5-2)21-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3
InChIKeyGYQCEEFABLVQAM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.61
Rot. Bonds5

About 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile (PubChem CID 80505750) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile
PubChem CID80505750
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OC(C)c2ccccc2)c(C#N)c1CC
InChIInChI=1S/C17H19N3O/c1-4-14-15(11-18)17(20-19-16(14)5-2)21-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3
InChIKeyGYQCEEFABLVQAM-UHFFFAOYSA-N
XLogP3.61
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
CID 6404525
3-Phenoxy-6-phenylpyridazine-4-carbonitrile
CID 6404526
3,4-Bis(4-methoxyphenyl)-6-(2-cyanophenoxy)pyridazine
CID 10112167
3,4-Bis(4-methoxyphenyl)-6-(3-cyanophenoxy)pyridazine
CID 10294943
3-(4-Methylphenoxy)-6-phenylpyridazine-4-carbonitrile
CID 6404530
6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76320180
6-Heptyloxy-3,4-diphenyl-pyridazine
CID 11110783
4-[6-Methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzonitrile
CID 76312963
3,4-Bis(4-methoxyphenyl)-6-(4-cyanophenoxy)pyridazine
CID 18760039
6-Hexyloxy-3,4-diphenyl-pyridazine
CID 10925614
6-Pentyloxy-3,4-diphenyl-pyridazine
CID 10947107
6-Nonyloxy-3,4-diphenyl-pyridazine
CID 10959718

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile (CID 80505750) is 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile is CCc1nnc(OC(C)c2ccccc2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile?
The InChIKey is GYQCEEFABLVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-14-15(11-18)17(20-19-16(14)5-2)21-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3.
What are the key properties of 5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(1-phenylethoxy)pyridazine-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.61, 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-(1-phenylethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80505750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).