4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile

C13H12N4O — CID 10847634

IUPAC4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile
SMILESCN(C)c1ccc(Oc2ccc(C#N)cc2)nn1
InChIInChI=1S/C13H12N4O/c1-17(2)12-7-8-13(16-15-12)18-11-5-3-10(9-14)4-6-11/h3-8H,1-2H3
InChIKeyKBUQBWHJGSVCQX-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.21
Rot. Bonds3

About 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile

4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile (PubChem CID 10847634) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile
PubChem CID10847634
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile
SMILESCN(C)c1ccc(Oc2ccc(C#N)cc2)nn1
InChIInChI=1S/C13H12N4O/c1-17(2)12-7-8-13(16-15-12)18-11-5-3-10(9-14)4-6-11/h3-8H,1-2H3
InChIKeyKBUQBWHJGSVCQX-UHFFFAOYSA-N
XLogP2.21
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methylpyridazin-3-yl)oxybenzonitrile
CID 176899831
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
CID 10717549
4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61227794
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile
CID 43262138
4-methoxy(13C)benzonitrile
CID 175991125
4-methyliodanuidyloxybenzonitrile
CID 163632501
4-(6-methoxypyridazin-3-yl)benzonitrile
CID 16743326
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
4-(2,5-dimethylpyrazol-3-yl)oxybenzonitrile
CID 81346146
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80869270
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122334084

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile?
The IUPAC name of 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile (CID 10847634) is 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile.
What is the SMILES notation for 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile?
The canonical SMILES for 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile is CN(C)c1ccc(Oc2ccc(C#N)cc2)nn1.
What is the InChIKey of 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile?
The InChIKey is KBUQBWHJGSVCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17(2)12-7-8-13(16-15-12)18-11-5-3-10(9-14)4-6-11/h3-8H,1-2H3.
What are the key properties of 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile?
4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyridazin-3-yl]oxybenzonitrile is sourced from PubChem (CID 10847634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).