5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile

C10H5F3N4O — CID 6418292

IUPAC5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)18-7-3-1-6(2-4-7)9-8(5-14)15-17-16-9/h1-4H,(H,15,16,17)
InChIKeyGLNYPPNRVOBEBG-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.24
Rot. Bonds2

About 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile

5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile (PubChem CID 6418292) has the molecular formula C10H5F3N4O and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile
PubChem CID6418292
Molecular FormulaC10H5F3N4O
Molecular Weight254.17 g/mol
Exact Mass254.04
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)18-7-3-1-6(2-4-7)9-8(5-14)15-17-16-9/h1-4H,(H,15,16,17)
InChIKeyGLNYPPNRVOBEBG-UHFFFAOYSA-N
XLogP2.24
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-phenoxylphenyl)-5-cyano-2H-1,2,3-triazole
CID 16216595
5-[3-(4,4,4-trifluoro-butoxy)-5-trifluoromethyl-phenyl]-3H-[1,2,3]triazole-4-carbonitrile
CID 117821728
5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile
CID 5076757
4-(2,3-dimethoxyphenyl)-5-cyano-2H-1,2,3-triazole
CID 44437845
4-(3,4-dimethoxyphenyl)-5-cyano-2H-1,2,3-triazole
CID 44437846
4-(4-fluoro-3-phenoxylphenyl)-5-cyano-2H-1,2,3-triazole
CID 44437849
4-(4-(Trifluoromethoxy)phenyl)-1H-1,2,3-triazole
CID 51346180
4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
CID 6411993
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-(4-methoxyphenyl)-5-methyl-2H-triazole
CID 86096638
4-(4-methoxyphenyl)-5-phenyl-2H-triazole
CID 102244181
4-(4-Hydroxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
CID 135448363

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile (CID 6418292) is 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is GLNYPPNRVOBEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O/c11-10(12,13)18-7-3-1-6(2-4-7)9-8(5-14)15-17-16-9/h1-4H,(H,15,16,17).
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile?
5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 254.17 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 6418292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).