3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile

C13H11N3O2 — CID 80509914

IUPAC3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
SMILESCOc1ccc(COc2nnccc2C#N)cc1
InChIInChI=1S/C13H11N3O2/c1-17-12-4-2-10(3-5-12)9-18-13-11(8-14)6-7-15-16-13/h2-7H,9H2,1H3
InChIKeyVKMSFLLYSJGKPX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.94
Rot. Bonds4

About 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile

3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile (PubChem CID 80509914) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
PubChem CID80509914
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
SMILESCOc1ccc(COc2nnccc2C#N)cc1
InChIInChI=1S/C13H11N3O2/c1-17-12-4-2-10(3-5-12)9-18-13-11(8-14)6-7-15-16-13/h2-7H,9H2,1H3
InChIKeyVKMSFLLYSJGKPX-UHFFFAOYSA-N
XLogP1.94
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80510175
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile
CID 66572971
3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
CID 102702927
3-prop-2-ynoxypyridazine-4-carbonitrile
CID 80510731
3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
CID 80510980
2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile
CID 107107472
5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 71661271
2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
CID 86604951
3-(4-methylpentoxy)pyridazine-4-carbonitrile
CID 80510178
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile (CID 80509914) is 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile is COc1ccc(COc2nnccc2C#N)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile?
The InChIKey is VKMSFLLYSJGKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-12-4-2-10(3-5-12)9-18-13-11(8-14)6-7-15-16-13/h2-7H,9H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile?
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile is sourced from PubChem (CID 80509914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).