5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile

C18H10F3N5 — CID 122478931

IUPAC5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc2ccn(-c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C18H10F3N5/c19-18(20,21)13-2-1-3-14(9-13)26-7-6-11-4-5-12(8-16(11)26)17-15(10-22)23-25-24-17/h1-9H,(H,23,24,25)
InChIKeyICBIBXJLEOBUNJ-UHFFFAOYSA-N
MW353.31 g/mol
LogP4.31
Rot. Bonds2

About 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile

5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile (PubChem CID 122478931) has the molecular formula C18H10F3N5 and a molecular weight of 353.31 g/mol. Its IUPAC name is 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile
PubChem CID122478931
Molecular FormulaC18H10F3N5
Molecular Weight353.31 g/mol
Exact Mass353.09
IUPAC Name5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc2ccn(-c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C18H10F3N5/c19-18(20,21)13-2-1-3-14(9-13)26-7-6-11-4-5-12(8-16(11)26)17-15(10-22)23-25-24-17/h1-9H,(H,23,24,25)
InChIKeyICBIBXJLEOBUNJ-UHFFFAOYSA-N
XLogP4.31
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-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

5-[1-(1,3-benzodioxol-5-yl)indol-6-yl]-2H-triazole-4-carbonitrile
CID 122478875
5-[4-amino-3-[3-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122447313
5-[3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477555
5-[4-(diethylamino)-3-[3-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477670
5-[3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122477616
5-[6-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-yl]-2H-triazole-4-carbonitrile
CID 137146927
5-[2-ethyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478831
5-[3-bromo-5-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-triazole-4-carbonitrile
CID 122478006
N-[4-(5-cyano-2H-triazol-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 154068622
5-[3-[(E)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477829
5-[6-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-triazole-4-carbonitrile
CID 122478987
5-[6-[5-(trifluoromethyl)-1-benzothiophen-2-yl]-2-pyridinyl]-2H-triazole-4-carbonitrile
CID 122478908

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile (CID 122478931) is 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1ccc2ccn(-c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile?
The InChIKey is ICBIBXJLEOBUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5/c19-18(20,21)13-2-1-3-14(9-13)26-7-6-11-4-5-12(8-16(11)26)17-15(10-22)23-25-24-17/h1-9H,(H,23,24,25).
What are the key properties of 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile?
5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile has a molecular weight of 353.31 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(trifluoromethyl)phenyl]indol-6-yl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122478931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).