6-(4-methoxyphenyl)pyridazine-4-carbonitrile

C12H9N3O — CID 13434104

IUPAC6-(4-methoxyphenyl)pyridazine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)cnn2)cc1
InChIInChI=1S/C12H9N3O/c1-16-11-4-2-10(3-5-11)12-6-9(7-13)8-14-15-12/h2-6,8H,1H3
InChIKeyYCOSLTNEUHBBQK-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.02
Rot. Bonds2

About 6-(4-methoxyphenyl)pyridazine-4-carbonitrile

6-(4-methoxyphenyl)pyridazine-4-carbonitrile (PubChem CID 13434104) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)pyridazine-4-carbonitrile
PubChem CID13434104
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name6-(4-methoxyphenyl)pyridazine-4-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)cnn2)cc1
InChIInChI=1S/C12H9N3O/c1-16-11-4-2-10(3-5-11)12-6-9(7-13)8-14-15-12/h2-6,8H,1H3
InChIKeyYCOSLTNEUHBBQK-UHFFFAOYSA-N
XLogP2.02
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(4-methoxyphenyl)pyridazine
CID 117107154
6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
CID 121205221
6-chloro-5-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 86588577
4-methoxy(13C)benzonitrile
CID 175991125
5-(4-methoxyphenyl)pyrazine-2-carbonitrile
CID 19381792
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
2,6-bis(4-methoxyphenyl)pyrylium-4-carbonitrile
CID 5114383
ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate
CID 121205212
4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile
CID 11587176
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 167877413
4-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxybenzonitrile
CID 4226629
3-bromo-5-(4-methoxyphenyl)benzonitrile
CID 162396130

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)pyridazine-4-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)pyridazine-4-carbonitrile (CID 13434104) is 6-(4-methoxyphenyl)pyridazine-4-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)pyridazine-4-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)pyridazine-4-carbonitrile is COc1ccc(-c2cc(C#N)cnn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)pyridazine-4-carbonitrile?
The InChIKey is YCOSLTNEUHBBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-16-11-4-2-10(3-5-11)12-6-9(7-13)8-14-15-12/h2-6,8H,1H3.
What are the key properties of 6-(4-methoxyphenyl)pyridazine-4-carbonitrile?
6-(4-methoxyphenyl)pyridazine-4-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)pyridazine-4-carbonitrile is sourced from PubChem (CID 13434104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).