5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile

C22H17F6N5O2 — CID 122479489

IUPAC5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cc(OCc2cc(C(F)(F)F)ccc2N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H17F6N5O2/c23-21(24,25)15-1-2-19(33-3-5-34-6-4-33)14(8-15)12-35-17-9-13(7-16(10-17)22(26,27)28)20-18(11-29)30-32-31-20/h1-2,7-10H,3-6,12H2,(H,30,31,32)
InChIKeySNCPYFHCADPFKD-UHFFFAOYSA-N
MW497.40 g/mol
LogP4.80
Rot. Bonds5

About 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile

5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile (PubChem CID 122479489) has the molecular formula C22H17F6N5O2 and a molecular weight of 497.40 g/mol. Its IUPAC name is 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile
PubChem CID122479489
Molecular FormulaC22H17F6N5O2
Molecular Weight497.40 g/mol
Exact Mass497.13
IUPAC Name5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cc(OCc2cc(C(F)(F)F)ccc2N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H17F6N5O2/c23-21(24,25)15-1-2-19(33-3-5-34-6-4-33)14(8-15)12-35-17-9-13(7-16(10-17)22(26,27)28)20-18(11-29)30-32-31-20/h1-2,7-10H,3-6,12H2,(H,30,31,32)
InChIKeySNCPYFHCADPFKD-UHFFFAOYSA-N
XLogP4.80
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile (CID 122479489) is 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1cc(OCc2cc(C(F)(F)F)ccc2N2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is SNCPYFHCADPFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N5O2/c23-21(24,25)15-1-2-19(33-3-5-34-6-4-33)14(8-15)12-35-17-9-13(7-16(10-17)22(26,27)28)20-18(11-29)30-32-31-20/h1-2,7-10H,3-6,12H2,(H,30,31,32).
What are the key properties of 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile?
5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 497.40 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122479489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).