5-(4-methoxyphenyl)pyrazine-2-carbonitrile

C12H9N3O — CID 19381792

IUPAC5-(4-methoxyphenyl)pyrazine-2-carbonitrile
SMILESCOc1ccc(-c2cnc(C#N)cn2)cc1
InChIInChI=1S/C12H9N3O/c1-16-11-4-2-9(3-5-11)12-8-14-10(6-13)7-15-12/h2-5,7-8H,1H3
InChIKeyOBGVOBOBKOTMDE-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.02
Rot. Bonds2

About 5-(4-methoxyphenyl)pyrazine-2-carbonitrile

5-(4-methoxyphenyl)pyrazine-2-carbonitrile (PubChem CID 19381792) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyphenyl)pyrazine-2-carbonitrile
PubChem CID19381792
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name5-(4-methoxyphenyl)pyrazine-2-carbonitrile
SMILESCOc1ccc(-c2cnc(C#N)cn2)cc1
InChIInChI=1S/C12H9N3O/c1-16-11-4-2-9(3-5-11)12-8-14-10(6-13)7-15-12/h2-5,7-8H,1H3
InChIKeyOBGVOBOBKOTMDE-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

Analyze 5-(4-methoxyphenyl)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)pyrazine-2-carbonitrile
CID 69058774
5-[6-(4-cyanophenyl)-3-pyridinyl]pyrazine-2-carbonitrile
CID 67751358
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
methyl 5-(4-methoxyphenyl)pyrazine-2-carboxylate
CID 91754327
6-(4-methoxyphenyl)pyridazine-4-carbonitrile
CID 13434104
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 104707141
5-methoxypyrimidine-2-carbonitrile
CID 3715049
4-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxybenzonitrile
CID 4226629
5-(chloromethyl)-2-(4-methoxyphenyl)pyridine
CID 2763864

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(4-methoxyphenyl)pyrazine-2-carbonitrile (CID 19381792) is 5-(4-methoxyphenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-methoxyphenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-methoxyphenyl)pyrazine-2-carbonitrile is COc1ccc(-c2cnc(C#N)cn2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)pyrazine-2-carbonitrile?
The InChIKey is OBGVOBOBKOTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-16-11-4-2-9(3-5-11)12-8-14-10(6-13)7-15-12/h2-5,7-8H,1H3.
What are the key properties of 5-(4-methoxyphenyl)pyrazine-2-carbonitrile?
5-(4-methoxyphenyl)pyrazine-2-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 5-(4-methoxyphenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 19381792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).