2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile

C16H17N3O2 — CID 82444996

IUPAC2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
SMILESCCOc1ccccc1-c1cc(CC#N)c(=O)n(CC)n1
InChIInChI=1S/C16H17N3O2/c1-3-19-16(20)12(9-10-17)11-14(18-19)13-7-5-6-8-15(13)21-4-2/h5-8,11H,3-4,9H2,1-2H3
InChIKeyGGVDBRLURFGLQX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.39
Rot. Bonds5

About 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile

2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile (PubChem CID 82444996) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
PubChem CID82444996
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
SMILESCCOc1ccccc1-c1cc(CC#N)c(=O)n(CC)n1
InChIInChI=1S/C16H17N3O2/c1-3-19-16(20)12(9-10-17)11-14(18-19)13-7-5-6-8-15(13)21-4-2/h5-8,11H,3-4,9H2,1-2H3
InChIKeyGGVDBRLURFGLQX-UHFFFAOYSA-N
XLogP2.39
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile?
The IUPAC name of 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile (CID 82444996) is 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile.
What is the SMILES notation for 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile?
The canonical SMILES for 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile is CCOc1ccccc1-c1cc(CC#N)c(=O)n(CC)n1.
What is the InChIKey of 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile?
The InChIKey is GGVDBRLURFGLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-19-16(20)12(9-10-17)11-14(18-19)13-7-5-6-8-15(13)21-4-2/h5-8,11H,3-4,9H2,1-2H3.
What are the key properties of 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile?
2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile is sourced from PubChem (CID 82444996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).