3-(2-fluorophenyl)triazole-4-carbonitrile

C9H5FN4 — CID 84661292

IUPAC3-(2-fluorophenyl)triazole-4-carbonitrile
SMILESN#Cc1cnnn1-c1ccccc1F
InChIInChI=1S/C9H5FN4/c10-8-3-1-2-4-9(8)14-7(5-11)6-12-13-14/h1-4,6H
InChIKeyAWIZWMGMALTBOJ-UHFFFAOYSA-N
MW188.16 g/mol
LogP1.28
Rot. Bonds1

About 3-(2-fluorophenyl)triazole-4-carbonitrile

3-(2-fluorophenyl)triazole-4-carbonitrile (PubChem CID 84661292) has the molecular formula C9H5FN4 and a molecular weight of 188.16 g/mol. Its IUPAC name is 3-(2-fluorophenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)triazole-4-carbonitrile
PubChem CID84661292
Molecular FormulaC9H5FN4
Molecular Weight188.16 g/mol
Exact Mass188.05
IUPAC Name3-(2-fluorophenyl)triazole-4-carbonitrile
SMILESN#Cc1cnnn1-c1ccccc1F
InChIInChI=1S/C9H5FN4/c10-8-3-1-2-4-9(8)14-7(5-11)6-12-13-14/h1-4,6H
InChIKeyAWIZWMGMALTBOJ-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

3-(2-hydroxyphenyl)triazole-4-carbonitrile
CID 84660466
5-chloro-1-(2-fluorophenyl)triazole
CID 115021243
5-amino-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 15698846
1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 82527578
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
5-butyl-1-(2-fluorophenyl)triazole-4-carbonitrile
CID 82196454
5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile
CID 82196524
1-(2-fluorophenyl)pyrazole-3-carbonitrile
CID 116818280
3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 82390743
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82078555
2-[3-(2-fluorophenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide
CID 16649463

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)triazole-4-carbonitrile?
The IUPAC name of 3-(2-fluorophenyl)triazole-4-carbonitrile (CID 84661292) is 3-(2-fluorophenyl)triazole-4-carbonitrile.
What is the SMILES notation for 3-(2-fluorophenyl)triazole-4-carbonitrile?
The canonical SMILES for 3-(2-fluorophenyl)triazole-4-carbonitrile is N#Cc1cnnn1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)triazole-4-carbonitrile?
The InChIKey is AWIZWMGMALTBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN4/c10-8-3-1-2-4-9(8)14-7(5-11)6-12-13-14/h1-4,6H.
What are the key properties of 3-(2-fluorophenyl)triazole-4-carbonitrile?
3-(2-fluorophenyl)triazole-4-carbonitrile 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 3-(2-fluorophenyl)triazole-4-carbonitrile is sourced from PubChem (CID 84661292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).