5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile

C15H12FN5 — CID 133334591

IUPAC5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(F)cc1C#N)c1nnc2ccccn12
InChIInChI=1S/C15H12FN5/c1-10(15-20-19-14-4-2-3-7-21(14)15)18-13-6-5-12(16)8-11(13)9-17/h2-8,10,18H,1H3
InChIKeyVXFQIMMJJATRIL-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.91
Rot. Bonds3

About 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile

5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile (PubChem CID 133334591) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile
PubChem CID133334591
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(F)cc1C#N)c1nnc2ccccn12
InChIInChI=1S/C15H12FN5/c1-10(15-20-19-14-4-2-3-7-21(14)15)18-13-6-5-12(16)8-11(13)9-17/h2-8,10,18H,1H3
InChIKeyVXFQIMMJJATRIL-UHFFFAOYSA-N
XLogP2.91
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-[[(1R)-1-phenylethyl]amino]benzonitrile
CID 133320611
1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154279
5-fluoro-2-[[(1S)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]benzonitrile
CID 97088925
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 24508306
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133334637
5-fluoro-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]benzonitrile
CID 133316871
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile?
The IUPAC name of 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile (CID 133334591) is 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile is CC(Nc1ccc(F)cc1C#N)c1nnc2ccccn12.
What is the InChIKey of 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile?
The InChIKey is VXFQIMMJJATRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5/c1-10(15-20-19-14-4-2-3-7-21(14)15)18-13-6-5-12(16)8-11(13)9-17/h2-8,10,18H,1H3.
What are the key properties of 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile?
5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile has a molecular weight of 281.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]benzonitrile is sourced from PubChem (CID 133334591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).