2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile

C11H8FN5 — CID 102987010

IUPAC2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nccnc1N
InChIInChI=1S/C11H8FN5/c12-8-1-2-9(7(5-8)6-13)17-11-10(14)15-3-4-16-11/h1-5H,(H2,14,15)(H,16,17)
InChIKeyDZDHDYSLVMILTJ-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.81
Rot. Bonds2

About 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile

2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile (PubChem CID 102987010) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
PubChem CID102987010
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nccnc1N
InChIInChI=1S/C11H8FN5/c12-8-1-2-9(7(5-8)6-13)17-11-10(14)15-3-4-16-11/h1-5H,(H2,14,15)(H,16,17)
InChIKeyDZDHDYSLVMILTJ-UHFFFAOYSA-N
XLogP1.81
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684581
3-amino-2-(2-cyano-4-fluoroanilino)pyridine-4-carboxylic acid
CID 82685237
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
CID 102985191
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile
CID 114400352
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776
3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
2-(4-amino-2-methylanilino)-5-fluorobenzonitrile
CID 82014840

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile (CID 102987010) is 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1nccnc1N.
What is the InChIKey of 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile?
The InChIKey is DZDHDYSLVMILTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-1-2-9(7(5-8)6-13)17-11-10(14)15-3-4-16-11/h1-5H,(H2,14,15)(H,16,17).
What are the key properties of 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile?
2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile has a molecular weight of 229.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 102987010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).