3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile

C13H11FN4 — CID 66424519

IUPAC3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile
SMILESCc1nc(N)c(-c2cc(F)cc(C#N)c2)nc1C
InChIInChI=1S/C13H11FN4/c1-7-8(2)18-13(16)12(17-7)10-3-9(6-15)4-11(14)5-10/h3-5H,1-2H3,(H2,16,18)
InChIKeyQFDXOZUBTCBLQH-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.35
Rot. Bonds1

About 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile

3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile (PubChem CID 66424519) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile
PubChem CID66424519
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile
SMILESCc1nc(N)c(-c2cc(F)cc(C#N)c2)nc1C
InChIInChI=1S/C13H11FN4/c1-7-8(2)18-13(16)12(17-7)10-3-9(6-15)4-11(14)5-10/h3-5H,1-2H3,(H2,16,18)
InChIKeyQFDXOZUBTCBLQH-UHFFFAOYSA-N
XLogP2.35
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-amino-2-methyl-3-pyridinyl)-5-fluorobenzonitrile
CID 79048446
2,4,6-tris(3-cyano-5-fluorophenyl)pyridine-3,5-dicarbonitrile
CID 169021886
3-fluoro-5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)benzonitrile
CID 136769392
3-(5-amino-2-fluoro-4-methylphenyl)-5-fluorobenzonitrile
CID 107593698
3-(4-aminopyrimidin-2-yl)-5-fluorobenzonitrile
CID 116795274
3-(2-tert-butyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)-5-fluorobenzonitrile
CID 136769377
3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile
CID 66423122
3-(4-chloro-1,2,5-thiadiazol-3-yl)-5-fluorobenzonitrile
CID 66425307
3-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzonitrile
CID 66425508
3-[3,5-dichloro-6-(propylamino)-2-pyridinyl]-5-fluorobenzonitrile
CID 102753566
3-fluoro-5-(3-fluorophenyl)benzonitrile
CID 46312350
3-(3,4-dichlorophenyl)-5-fluorobenzonitrile
CID 134623269

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile?
The IUPAC name of 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile (CID 66424519) is 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile?
The canonical SMILES for 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile is Cc1nc(N)c(-c2cc(F)cc(C#N)c2)nc1C.
What is the InChIKey of 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile?
The InChIKey is QFDXOZUBTCBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-7-8(2)18-13(16)12(17-7)10-3-9(6-15)4-11(14)5-10/h3-5H,1-2H3,(H2,16,18).
What are the key properties of 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile?
3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5,6-dimethylpyrazin-2-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 66424519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).