3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile

C15H16N4O — CID 80514538

IUPAC3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Oc2ccc(N)cc2)c(C#N)c1CC
InChIInChI=1S/C15H16N4O/c1-3-12-13(9-16)15(19-18-14(12)4-2)20-11-7-5-10(17)6-8-11/h5-8H,3-4,17H2,1-2H3
InChIKeyFFSKFJJKKBZWGM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.85
Rot. Bonds4

About 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile

3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80514538) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80514538
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Oc2ccc(N)cc2)c(C#N)c1CC
InChIInChI=1S/C15H16N4O/c1-3-12-13(9-16)15(19-18-14(12)4-2)20-11-7-5-10(17)6-8-11/h5-8H,3-4,17H2,1-2H3
InChIKeyFFSKFJJKKBZWGM-UHFFFAOYSA-N
XLogP2.85
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile (CID 80514538) is 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(Oc2ccc(N)cc2)c(C#N)c1CC.
What is the InChIKey of 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is FFSKFJJKKBZWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-12-13(9-16)15(19-18-14(12)4-2)20-11-7-5-10(17)6-8-11/h5-8H,3-4,17H2,1-2H3.
What are the key properties of 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile?
3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80514538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).