3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile

C18H13N3O — CID 6404530

IUPAC3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile
SMILESCc1ccc(Oc2nnc(-c3ccccc3)cc2C#N)cc1
InChIInChI=1S/C18H13N3O/c1-13-7-9-16(10-8-13)22-18-15(12-19)11-17(20-21-18)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyJZXKRPQOYAKGJG-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.12
Rot. Bonds3

About 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile

3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile (PubChem CID 6404530) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile
PubChem CID6404530
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile
SMILESCc1ccc(Oc2nnc(-c3ccccc3)cc2C#N)cc1
InChIInChI=1S/C18H13N3O/c1-13-7-9-16(10-8-13)22-18-15(12-19)11-17(20-21-18)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyJZXKRPQOYAKGJG-UHFFFAOYSA-N
XLogP4.12
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile (CID 6404530) is 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile is Cc1ccc(Oc2nnc(-c3ccccc3)cc2C#N)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile?
The InChIKey is JZXKRPQOYAKGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-13-7-9-16(10-8-13)22-18-15(12-19)11-17(20-21-18)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile?
3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-6-phenylpyridazine-4-carbonitrile is sourced from PubChem (CID 6404530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).