3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile

C13H11N3O2 — CID 55104413

IUPAC3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
SMILESCOc1cccc(COc2nccnc2C#N)c1
InChIInChI=1S/C13H11N3O2/c1-17-11-4-2-3-10(7-11)9-18-13-12(8-14)15-5-6-16-13/h2-7H,9H2,1H3
InChIKeyMFZVEJCPMJSNKH-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.94
Rot. Bonds4

About 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile

3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile (PubChem CID 55104413) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
PubChem CID55104413
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
SMILESCOc1cccc(COc2nccnc2C#N)c1
InChIInChI=1S/C13H11N3O2/c1-17-11-4-2-3-10(7-11)9-18-13-12(8-14)15-5-6-16-13/h2-7H,9H2,1H3
InChIKeyMFZVEJCPMJSNKH-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
3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
CID 113269444
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
3-(chloromethyl)-2-[(3-methoxyphenyl)methoxy]pyridine
CID 61256426
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
[3-[(3-methoxyphenyl)methoxy]pyridazin-4-yl]methanamine
CID 80508057
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 114675867
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile (CID 55104413) is 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile is COc1cccc(COc2nccnc2C#N)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile?
The InChIKey is MFZVEJCPMJSNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-11-4-2-3-10(7-11)9-18-13-12(8-14)15-5-6-16-13/h2-7H,9H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile?
3-[(3-methoxyphenyl)methoxy]pyrazine-2-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-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile is sourced from PubChem (CID 55104413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).