1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol

C124H143ClF2N18O6 — CID 159046878

About 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol

1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol (PubChem CID 159046878) has the molecular formula C124H143ClF2N18O6 and a molecular weight of 2055.08 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol.

Molecular Properties

• Compound Name: 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol
• PubChem CID: 159046878
• Molecular Formula: C124H143ClF2N18O6
• Molecular Weight: 2055.08 g/mol
• Exact Mass: 2053.11
• IUPAC Name: 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol
• SMILES: OC(CC1c2cc(Cl)ncc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2cc(F)ccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2nc(F)ccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2ncccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2ncccc2-c2cncn21)C1CCCCC1.[C-]#[N+]c1cc2c(cn1)-c1cncn1C2CC(O)C12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C22H25FN2O.C22H24N4O.C21H24ClN3O.C21H24FN3O.C21H25N3O.C17H21N3O/c23-16-1-2-17-18(6-16)19(25-12-24-11-20(17)25)7-21(26)22-8-13-3-14(9-22)5-15(4-13)10-22;1-23-21-5-16-17(10-25-21)19-11-24-12-26(19)18(16)6-20(27)22-7-13-2-14(8-22)4-15(3-13)9-22;22-20-4-15-16(9-24-20)18-10-23-11-25(18)17(15)5-19(26)21-6-12-1-13(7-21)3-14(2-12)8-21;22-19-2-1-15-17-10-23-11-25(17)16(20(15)24-19)6-18(26)21-7-12-3-13(8-21)5-14(4-12)9-21;25-19(21-8-13-4-14(9-21)6-15(5-13)10-21)7-17-20-16(2-1-3-23-20)18-11-22-12-24(17)18;21-16(12-5-2-1-3-6-12)9-14-17-13(7-4-8-19-17)15-10-18-11-20(14)15/h1-2,6,11-15,19,21,26H,3-5,7-10H2;5,10-15,18,20,27H,2-4,6-9H2;4,9-14,17,19,26H,1-3,5-8H2;1-2,10-14,16,18,26H,3-9H2;1-3,11-15,17,19,25H,4-10H2;4,7-8,10-12,14,16,21H,1-3,5-6,9H2
• InChIKey: JWTPJGNWPMDFBP-UHFFFAOYSA-N
• XLogP: 24.34
• TPSA: 297.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.08
LogP ≤ 5	24.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol?

The IUPAC name of 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol (CID 159046878) is 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol.

What is the SMILES notation for 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol?

The canonical SMILES for 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol is OC(CC1c2cc(Cl)ncc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2cc(F)ccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2nc(F)ccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2ncccc2-c2cncn21)C12CC3CC(CC(C3)C1)C2.OC(CC1c2ncccc2-c2cncn21)C1CCCCC1.[C-]#[N+]c1cc2c(cn1)-c1cncn1C2CC(O)C12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol?

The InChIKey is JWTPJGNWPMDFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O.C22H24N4O.C21H24ClN3O.C21H24FN3O.C21H25N3O.C17H21N3O/c23-16-1-2-17-18(6-16)19(25-12-24-11-20(17)25)7-21(26)22-8-13-3-14(9-22)5-15(4-13)10-22;1-23-21-5-16-17(10-25-21)19-11-24-12-26(19)18(16)6-20(27)22-7-13-2-14(8-22)4-15(3-13)9-22;22-20-4-15-16(9-24-20)18-10-23-11-25(18)17(15)5-19(26)21-6-12-1-13(7-21)3-14(2-12)8-21;22-19-2-1-15-17-10-23-11-25(17)16(20(15)24-19)6-18(26)21-7-12-3-13(8-21)5-14(4-12)9-21;25-19(21-8-13-4-14(9-21)6-15(5-13)10-21)7-17-20-16(2-1-3-23-20)18-11-22-12-24(17)18;21-16(12-5-2-1-3-6-12)9-14-17-13(7-4-8-19-17)15-10-18-11-20(14)15/h1-2,6,11-15,19,21,26H,3-5,7-10H2;5,10-15,18,20,27H,2-4,6-9H2;4,9-14,17,19,26H,1-3,5-8H2;1-2,10-14,16,18,26H,3-9H2;1-3,11-15,17,19,25H,4-10H2;4,7-8,10-12,14,16,21H,1-3,5-6,9H2.

What are the key properties of 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol?

1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol has a molecular weight of 2055.08 g/mol, XLogP of 24.34, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-adamantyl)-2-(10-chloro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(7-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol;1-(1-adamantyl)-2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(10-isocyano-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol;1-(1-adamantyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol is sourced from PubChem (CID 159046878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).