benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride

C82H86Cl3F17N20O13S3 — CID 167606374

About benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride

benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride (PubChem CID 167606374) has the molecular formula C82H86Cl3F17N20O13S3 and a molecular weight of 2085.24 g/mol. Its IUPAC name is benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride.

Molecular Properties

• Compound Name: benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride
• PubChem CID: 167606374
• Molecular Formula: C82H86Cl3F17N20O13S3
• Molecular Weight: 2085.24 g/mol
• Exact Mass: 2082.46
• IUPAC Name: benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride
• SMILES: C.C.C.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.Cl.NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.O=C(NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)OCc1ccccc1.O=C(NCc1cc(F)c(N2CCN=CN2)c(F)c1)OCc1ccccc1
• InChI: InChI=1S/C21H18ClF5N6O3S.C19H17F5N4O4S.C18H18F2N4O2.C11H11F5N4O2S.C10H9ClN2O2.3CH4.ClH/c1-2-16-19(32-10-13(22)3-4-17(32)30-16)20(34)28-9-12-7-14(23)18(15(24)8-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27;20-15-8-14(10-25-18(29)32-11-13-4-2-1-3-5-13)9-16(21)17(15)28-7-6-27(12-26-28)33(30,31)19(22,23)24;19-15-8-14(9-16(20)17(15)24-7-6-21-12-23-24)10-22-18(25)26-11-13-4-2-1-3-5-13;12-8-3-7(5-17)4-9(13)10(8)20-2-1-19(6-18-20)23(21,22)11(14,15)16;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;;;;/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34);1-5,8-9,12H,6-7,10-11H2,(H,25,29);1-5,8-9,12H,6-7,10-11H2,(H,21,23)(H,22,25);3-4,6H,1-2,5,17H2;3-5H,2H2,1H3,(H,14,15);3*1H4;1H
• InChIKey: LCJCAUKUFMLZIS-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 390.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.24
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride?

The IUPAC name of benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride (CID 167606374) is benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride.

What is the SMILES notation for benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride?

The canonical SMILES for benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride is C.C.C.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.Cl.NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.O=C(NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)OCc1ccccc1.O=C(NCc1cc(F)c(N2CCN=CN2)c(F)c1)OCc1ccccc1.

What is the InChIKey of benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride?

The InChIKey is LCJCAUKUFMLZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF5N6O3S.C19H17F5N4O4S.C18H18F2N4O2.C11H11F5N4O2S.C10H9ClN2O2.3CH4.ClH/c1-2-16-19(32-10-13(22)3-4-17(32)30-16)20(34)28-9-12-7-14(23)18(15(24)8-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27;20-15-8-14(10-25-18(29)32-11-13-4-2-1-3-5-13)9-16(21)17(15)28-7-6-27(12-26-28)33(30,31)19(22,23)24;19-15-8-14(9-16(20)17(15)24-7-6-21-12-23-24)10-22-18(25)26-11-13-4-2-1-3-5-13;12-8-3-7(5-17)4-9(13)10(8)20-2-1-19(6-18-20)23(21,22)11(14,15)16;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;;;;/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34);1-5,8-9,12H,6-7,10-11H2,(H,25,29);1-5,8-9,12H,6-7,10-11H2,(H,21,23)(H,22,25);3-4,6H,1-2,5,17H2;3-5H,2H2,1H3,(H,14,15);3*1H4;1H.

What are the key properties of benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride?

benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride has a molecular weight of 2085.24 g/mol, XLogP of 15.64, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]carbamate;benzyl N-[[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)-3,5-difluorophenyl]methyl]carbamate;6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;hydrochloride is sourced from PubChem (CID 167606374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).