N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C21H17F6N5O2 — CID 30886930

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C21H17F6N5O2/c22-20(23,24)13-5-6-18(31-7-9-34-10-8-31)15(11-13)28-19(33)16-12-32(30-29-16)17-4-2-1-3-14(17)21(25,26)27/h1-6,11-12H,7-10H2,(H,28,33)
InChIKeyLKMPLSPENWXGGR-UHFFFAOYSA-N
MW485.39 g/mol
LogP4.39
Rot. Bonds4

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 30886930) has the molecular formula C21H17F6N5O2 and a molecular weight of 485.39 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID30886930
Molecular FormulaC21H17F6N5O2
Molecular Weight485.39 g/mol
Exact Mass485.13
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C21H17F6N5O2/c22-20(23,24)13-5-6-18(31-7-9-34-10-8-31)15(11-13)28-19(33)16-12-32(30-29-16)17-4-2-1-3-14(17)21(25,26)27/h1-6,11-12H,7-10H2,(H,28,33)
InChIKeyLKMPLSPENWXGGR-UHFFFAOYSA-N
XLogP4.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112819500
methyl 4-pyrrolidin-1-yl-3-[[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]amino]benzoate
CID 112819534
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30876378
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162620968
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
N-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886939
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 5134283
1-[2-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 112819484
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55616983
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30876088

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 30886930) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cn(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is LKMPLSPENWXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F6N5O2/c22-20(23,24)13-5-6-18(31-7-9-34-10-8-31)15(11-13)28-19(33)16-12-32(30-29-16)17-4-2-1-3-14(17)21(25,26)27/h1-6,11-12H,7-10H2,(H,28,33).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 485.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 30886930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).