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

C13H11FN4 — CID 63673297

IUPAC5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
SMILESCc1cnc(CNc2ccc(F)cc2C#N)cn1
InChIInChI=1S/C13H11FN4/c1-9-6-17-12(7-16-9)8-18-13-3-2-11(14)4-10(13)5-15/h2-4,6-7,18H,8H2,1H3
InChIKeyXSCBWZASBSYSHJ-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.41
Rot. Bonds3

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

5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile (PubChem CID 63673297) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
PubChem CID63673297
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
SMILESCc1cnc(CNc2ccc(F)cc2C#N)cn1
InChIInChI=1S/C13H11FN4/c1-9-6-17-12(7-16-9)8-18-13-3-2-11(14)4-10(13)5-15/h2-4,6-7,18H,8H2,1H3
InChIKeyXSCBWZASBSYSHJ-UHFFFAOYSA-N
XLogP2.41
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[(5-methylpyrazin-2-yl)methyl]benzonitrile
CID 166100346
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587
3-amino-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 82817712
2-[(2,5-dimethylphenyl)methylamino]-5-fluorobenzonitrile
CID 82016482
5-fluoro-2-(1,3-thiazol-2-ylmethylamino)benzonitrile
CID 63674295
5-fluoro-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzonitrile
CID 116686480
5-fluoro-2-(1H-1,2,4-triazol-5-ylmethylamino)benzonitrile
CID 63672576
2-[4-[(5-methylpyrazin-2-yl)methylamino]pyrimidin-5-yl]benzonitrile
CID 3234751
4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 62845592
5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
CID 82014691
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586
5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile
CID 62995378

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile?
The IUPAC name of 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile (CID 63673297) is 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile is Cc1cnc(CNc2ccc(F)cc2C#N)cn1.
What is the InChIKey of 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile?
The InChIKey is XSCBWZASBSYSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-9-6-17-12(7-16-9)8-18-13-3-2-11(14)4-10(13)5-15/h2-4,6-7,18H,8H2,1H3.
What are the key properties of 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile?
5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 63673297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).