N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide

C96H83F9N22O9 — CID 157344164

IUPACN-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NCc2ccccc2)nn1-c1ccc(OC(F)(F)F)cc1.Cn1ccc(C(=O)Nc2nc(NC(=O)c3ccn(C)c(=O)c3)n(-c3ccccc3)n2)cc1=O
InChIInChI=1S/C25H22F3N5O2.C25H22F3N5O.C24H20F3N5O2.C22H19N7O4/c1-17-7-5-6-10-21(17)22(34)30-24-31-23(29-16-15-18-8-3-2-4-9-18)32-33(24)19-11-13-20(14-12-19)35-25(26,27)28;1-17-7-5-6-10-21(17)22(34)30-24-31-23(29-16-15-18-8-3-2-4-9-18)32-33(24)20-13-11-19(12-14-20)25(26,27)28;1-16-7-5-6-10-20(16)21(33)29-23-30-22(28-15-17-8-3-2-4-9-17)31-32(23)18-11-13-19(14-12-18)34-24(25,26)27;1-27-10-8-14(12-17(27)30)19(32)23-21-25-22(29(26-21)16-6-4-3-5-7-16)24-20(33)15-9-11-28(2)18(31)13-15/h2-14H,15-16H2,1H3,(H2,29,30,31,32,34);2-14H,15-16H2,1H3,(H2,29,30,31,32,34);2-14H,15H2,1H3,(H2,28,29,30,31,33);3-13H,1-2H3,(H2,23,24,25,26,32,33)
InChIKeyBGTIDMOSKVFCBO-UHFFFAOYSA-N
MW1859.85 g/mol
LogP17.39
Rot. Bonds27

About N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide

N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 157344164) has the molecular formula C96H83F9N22O9 and a molecular weight of 1859.85 g/mol. Its IUPAC name is N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID157344164
Molecular FormulaC96H83F9N22O9
Molecular Weight1859.85 g/mol
Exact Mass1858.66
IUPAC NameN-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NCc2ccccc2)nn1-c1ccc(OC(F)(F)F)cc1.Cn1ccc(C(=O)Nc2nc(NC(=O)c3ccn(C)c(=O)c3)n(-c3ccccc3)n2)cc1=O
InChIInChI=1S/C25H22F3N5O2.C25H22F3N5O.C24H20F3N5O2.C22H19N7O4/c1-17-7-5-6-10-21(17)22(34)30-24-31-23(29-16-15-18-8-3-2-4-9-18)32-33(24)19-11-13-20(14-12-19)35-25(26,27)28;1-17-7-5-6-10-21(17)22(34)30-24-31-23(29-16-15-18-8-3-2-4-9-18)32-33(24)20-13-11-19(12-14-20)25(26,27)28;1-16-7-5-6-10-20(16)21(33)29-23-30-22(28-15-17-8-3-2-4-9-17)31-32(23)18-11-13-19(14-12-18)34-24(25,26)27;1-27-10-8-14(12-17(27)30)19(32)23-21-25-22(29(26-21)16-6-4-3-5-7-16)24-20(33)15-9-11-28(2)18(31)13-15/h2-14H,15-16H2,1H3,(H2,29,30,31,32,34);2-14H,15-16H2,1H3,(H2,29,30,31,32,34);2-14H,15H2,1H3,(H2,28,29,30,31,33);3-13H,1-2H3,(H2,23,24,25,26,32,33)
InChIKeyBGTIDMOSKVFCBO-UHFFFAOYSA-N
XLogP17.39
TPSA366.89 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001859.85
LogP ≤ 517.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide with MolForge

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Related Compounds

N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 146649869
2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 146649872
N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 146650014
2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 146650067
2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 146650329
Imino-[4-[[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium
CID 149518745
tert-butyl N-[[4-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]methyl]-N-propan-2-ylcarbamate
CID 152127891
N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 153496959
2-methyl-N-[5-[3-[(propan-2-ylamino)methyl]anilino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 156084955
N-[[4-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 156084970
N-[5-[4-(aminomethyl)anilino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 156084972
N-[5-[[4-(aminomethyl)benzoyl]amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 156084973

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide (CID 157344164) is N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NCc2ccccc2)nn1-c1ccc(OC(F)(F)F)cc1.Cn1ccc(C(=O)Nc2nc(NC(=O)c3ccn(C)c(=O)c3)n(-c3ccccc3)n2)cc1=O.
What is the InChIKey of N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is BGTIDMOSKVFCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2.C25H22F3N5O.C24H20F3N5O2.C22H19N7O4/c1-17-7-5-6-10-21(17)22(34)30-24-31-23(29-16-15-18-8-3-2-4-9-18)32-33(24)19-11-13-20(14-12-19)35-25(26,27)28;1-17-7-5-6-10-21(17)22(34)30-24-31-23(29-16-15-18-8-3-2-4-9-18)32-33(24)20-13-11-19(12-14-20)25(26,27)28;1-16-7-5-6-10-20(16)21(33)29-23-30-22(28-15-17-8-3-2-4-9-17)31-32(23)18-11-13-19(14-12-18)34-24(25,26)27;1-27-10-8-14(12-17(27)30)19(32)23-21-25-22(29(26-21)16-6-4-3-5-7-16)24-20(33)15-9-11-28(2)18(31)13-15/h2-14H,15-16H2,1H3,(H2,29,30,31,32,34);2-14H,15-16H2,1H3,(H2,29,30,31,32,34);2-14H,15H2,1H3,(H2,28,29,30,31,33);3-13H,1-2H3,(H2,23,24,25,26,32,33).
What are the key properties of N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?
N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1859.85 g/mol, XLogP of 17.39, 27 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;1-methyl-N-[5-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylethylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 157344164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).