5-fluoro-2-(triazol-1-yl)benzonitrile

C9H5FN4 — CID 84661287

IUPAC5-fluoro-2-(triazol-1-yl)benzonitrile
SMILESN#Cc1cc(F)ccc1-n1ccnn1
InChIInChI=1S/C9H5FN4/c10-8-1-2-9(7(5-8)6-11)14-4-3-12-13-14/h1-5H
InChIKeyXRIJWVFBENKCQB-UHFFFAOYSA-N
MW188.16 g/mol
LogP1.28
Rot. Bonds1

About 5-fluoro-2-(triazol-1-yl)benzonitrile

5-fluoro-2-(triazol-1-yl)benzonitrile (PubChem CID 84661287) has the molecular formula C9H5FN4 and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-fluoro-2-(triazol-1-yl)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(triazol-1-yl)benzonitrile
PubChem CID84661287
Molecular FormulaC9H5FN4
Molecular Weight188.16 g/mol
Exact Mass188.05
IUPAC Name5-fluoro-2-(triazol-1-yl)benzonitrile
SMILESN#Cc1cc(F)ccc1-n1ccnn1
InChIInChI=1S/C9H5FN4/c10-8-1-2-9(7(5-8)6-11)14-4-3-12-13-14/h1-5H
InChIKeyXRIJWVFBENKCQB-UHFFFAOYSA-N
XLogP1.28
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile
CID 168965609
1-(2,5-difluorophenyl)triazole
CID 169324324
4-fluoro-2-(triazol-1-yl)aniline
CID 84656326
4-fluoro-2-pyrazol-1-ylbenzonitrile
CID 21069916
4-fluoro-2-(triazol-1-yl)pyridine
CID 142795340
5-fluoro-2-(5-phenyltetrazol-2-yl)benzonitrile
CID 63668025
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile
CID 63667343
4-fluoro-2-[[2-(triazol-1-yl)ethylamino]methyl]benzonitrile
CID 107904778
5-fluoro-2-(2-methylpyrrolidin-1-yl)benzonitrile
CID 63668185
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-5-fluorobenzonitrile
CID 171334386
3-bromo-2-(triazol-1-yl)benzonitrile
CID 84706827

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(triazol-1-yl)benzonitrile?
The IUPAC name of 5-fluoro-2-(triazol-1-yl)benzonitrile (CID 84661287) is 5-fluoro-2-(triazol-1-yl)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(triazol-1-yl)benzonitrile?
The canonical SMILES for 5-fluoro-2-(triazol-1-yl)benzonitrile is N#Cc1cc(F)ccc1-n1ccnn1.
What is the InChIKey of 5-fluoro-2-(triazol-1-yl)benzonitrile?
The InChIKey is XRIJWVFBENKCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN4/c10-8-1-2-9(7(5-8)6-11)14-4-3-12-13-14/h1-5H.
What are the key properties of 5-fluoro-2-(triazol-1-yl)benzonitrile?
5-fluoro-2-(triazol-1-yl)benzonitrile has a molecular weight of 188.16 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(triazol-1-yl)benzonitrile is sourced from PubChem (CID 84661287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).