4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile

C13H12N4 — CID 62845592

IUPAC4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
SMILESCc1cnc(CNc2ccc(C#N)cc2)cn1
InChIInChI=1S/C13H12N4/c1-10-7-16-13(8-15-10)9-17-12-4-2-11(6-14)3-5-12/h2-5,7-8,17H,9H2,1H3
InChIKeyCOIKTUZGSSWEOP-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.27
Rot. Bonds3

About 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile

4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile (PubChem CID 62845592) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
PubChem CID62845592
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
SMILESCc1cnc(CNc2ccc(C#N)cc2)cn1
InChIInChI=1S/C13H12N4/c1-10-7-16-13(8-15-10)9-17-12-4-2-11(6-14)3-5-12/h2-5,7-8,17H,9H2,1H3
InChIKeyCOIKTUZGSSWEOP-UHFFFAOYSA-N
XLogP2.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile?
The IUPAC name of 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile (CID 62845592) is 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile?
The canonical SMILES for 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile is Cc1cnc(CNc2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile?
The InChIKey is COIKTUZGSSWEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-10-7-16-13(8-15-10)9-17-12-4-2-11(6-14)3-5-12/h2-5,7-8,17H,9H2,1H3.
What are the key properties of 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile?
4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 62845592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).