7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene

C73H94N16O5 — CID 160627926

About 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene

7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene (PubChem CID 160627926) has the molecular formula C73H94N16O5 and a molecular weight of 1275.66 g/mol. Its IUPAC name is 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene.

Molecular Properties

• Compound Name: 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene
• PubChem CID: 160627926
• Molecular Formula: C73H94N16O5
• Molecular Weight: 1275.66 g/mol
• Exact Mass: 1274.76
• IUPAC Name: 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene
• SMILES: COc1ccc2c(n1)C(CC(C)C1CCCCC1)n1cncc1-2.COc1ccc2c(n1)C(CC(N)C1CCCCC1)n1cncc1-2.COc1ccc2c(n1)C(CC(N=[N+]=[N-])C1CCCCC1)n1cncc1-2.COc1ccc2c(n1)C(CC(O)C1CCCCC1)n1cncc1-2
• InChI: InChI=1S/C19H25N3O.C18H22N6O.C18H24N4O.C18H23N3O2/c1-13(14-6-4-3-5-7-14)10-16-19-15(8-9-18(21-19)23-2)17-11-20-12-22(16)17;1-25-17-8-7-13-16-10-20-11-24(16)15(18(13)21-17)9-14(22-23-19)12-5-3-2-4-6-12;1-23-17-8-7-13-16-10-20-11-22(16)15(18(13)21-17)9-14(19)12-5-3-2-4-6-12;1-23-17-8-7-13-15-10-19-11-21(15)14(18(13)20-17)9-16(22)12-5-3-2-4-6-12/h8-9,11-14,16H,3-7,10H2,1-2H3;7-8,10-12,14-15H,2-6,9H2,1H3;7-8,10-12,14-15H,2-6,9,19H2,1H3;7-8,10-12,14,16,22H,2-6,9H2,1H3
• InChIKey: RHNWLCWIVLWALA-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 254.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.66
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene?

The IUPAC name of 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene (CID 160627926) is 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene.

What is the SMILES notation for 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene?

The canonical SMILES for 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene is COc1ccc2c(n1)C(CC(C)C1CCCCC1)n1cncc1-2.COc1ccc2c(n1)C(CC(N)C1CCCCC1)n1cncc1-2.COc1ccc2c(n1)C(CC(N=[N+]=[N-])C1CCCCC1)n1cncc1-2.COc1ccc2c(n1)C(CC(O)C1CCCCC1)n1cncc1-2.

What is the InChIKey of 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene?

The InChIKey is RHNWLCWIVLWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C18H22N6O.C18H24N4O.C18H23N3O2/c1-13(14-6-4-3-5-7-14)10-16-19-15(8-9-18(21-19)23-2)17-11-20-12-22(16)17;1-25-17-8-7-13-16-10-20-11-24(16)15(18(13)21-17)9-14(22-23-19)12-5-3-2-4-6-12;1-23-17-8-7-13-16-10-20-11-22(16)15(18(13)21-17)9-14(19)12-5-3-2-4-6-12;1-23-17-8-7-13-15-10-19-11-21(15)14(18(13)20-17)9-16(22)12-5-3-2-4-6-12/h8-9,11-14,16H,3-7,10H2,1-2H3;7-8,10-12,14-15H,2-6,9H2,1H3;7-8,10-12,14-15H,2-6,9,19H2,1H3;7-8,10-12,14,16,22H,2-6,9H2,1H3.

What are the key properties of 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene?

7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene has a molecular weight of 1275.66 g/mol, XLogP of 15.31, 17 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-azido-2-cyclohexylethyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine;1-cyclohexyl-2-(10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;7-(2-cyclohexylpropyl)-10-methoxy-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene is sourced from PubChem (CID 160627926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).