5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile

C13H11FN4 — CID 114018085

IUPAC5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCCNc1nccnc1-c1ccc(F)c(C#N)c1
InChIInChI=1S/C13H11FN4/c1-2-16-13-12(17-5-6-18-13)9-3-4-11(14)10(7-9)8-15/h3-7H,2H2,1H3,(H,16,18)
InChIKeyZPVRVMYRABFNSV-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.59
Rot. Bonds3

About 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile

5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile (PubChem CID 114018085) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
PubChem CID114018085
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCCNc1nccnc1-c1ccc(F)c(C#N)c1
InChIInChI=1S/C13H11FN4/c1-2-16-13-12(17-5-6-18-13)9-3-4-11(14)10(7-9)8-15/h3-7H,2H2,1H3,(H,16,18)
InChIKeyZPVRVMYRABFNSV-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
CID 112559321
3-[3-(difluoromethyl)phenyl]-N-ethylpyrazin-2-amine
CID 112559313
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
5-(5-amino-1-butylimidazol-4-yl)-2-fluorobenzonitrile
CID 107936582
5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
CID 102757849
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]hydrazine
CID 112559565
5-(4-chlorophenyl)-2-fluorobenzonitrile
CID 164513732
5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile
CID 58209112
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
CID 167011867
3-[3-(ethylamino)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide
CID 126472476

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile (CID 114018085) is 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile is CCNc1nccnc1-c1ccc(F)c(C#N)c1.
What is the InChIKey of 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile?
The InChIKey is ZPVRVMYRABFNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-2-16-13-12(17-5-6-18-13)9-3-4-11(14)10(7-9)8-15/h3-7H,2H2,1H3,(H,16,18).
What are the key properties of 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile?
5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 114018085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).