5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile

C19H15N3O2 — CID 23276310

IUPAC5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile
SMILESCOc1ccc(-c2ncc(C#N)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H15N3O2/c1-23-16-7-3-13(4-8-16)18-19(22-15(11-20)12-21-18)14-5-9-17(24-2)10-6-14/h3-10,12H,1-2H3
InChIKeyKJHDLGHTXGUXCJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.70
Rot. Bonds4

About 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile

5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile (PubChem CID 23276310) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile
PubChem CID23276310
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile
SMILESCOc1ccc(-c2ncc(C#N)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H15N3O2/c1-23-16-7-3-13(4-8-16)18-19(22-15(11-20)12-21-18)14-5-9-17(24-2)10-6-14/h3-10,12H,1-2H3
InChIKeyKJHDLGHTXGUXCJ-UHFFFAOYSA-N
XLogP3.70
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile?
The IUPAC name of 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile (CID 23276310) is 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile is COc1ccc(-c2ncc(C#N)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile?
The InChIKey is KJHDLGHTXGUXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-23-16-7-3-13(4-8-16)18-19(22-15(11-20)12-21-18)14-5-9-17(24-2)10-6-14/h3-10,12H,1-2H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile?
5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 23276310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).