ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one

C109H114N16O5 — CID 160833166

About ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one

ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one (PubChem CID 160833166) has the molecular formula C109H114N16O5 and a molecular weight of 1728.22 g/mol. Its IUPAC name is ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one.

Molecular Properties

• Compound Name: ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one
• PubChem CID: 160833166
• Molecular Formula: C109H114N16O5
• Molecular Weight: 1728.22 g/mol
• Exact Mass: 1726.92
• IUPAC Name: ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one
• SMILES: CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.O=c1c2cccc3cccc(c32)c2nc3cccnc3n12.O=c1c2cccc3cccc(c32)c2nc3ccncc3n12.O=c1c2cccc3cccc(c32)c2nc3cnccc3n12.O=c1c2cccc3cccc(c32)c2nc3ncccc3n12.O=c1c2cccc3cccc(c32)c2nc3nccnc3n12
• InChI: InChI=1S/4C17H9N3O.C16H8N4O.5C3H8.5C2H6/c21-17-12-7-2-5-10-4-1-6-11(14(10)12)16-19-15-13(20(16)17)8-3-9-18-15;21-17-12-7-2-5-10-4-1-6-11(14(10)12)15-19-13-8-3-9-18-16(13)20(15)17;21-17-12-6-2-4-10-3-1-5-11(15(10)12)16-19-13-9-18-8-7-14(13)20(16)17;21-17-12-6-2-4-10-3-1-5-11(15(10)12)16-19-13-7-8-18-9-14(13)20(16)17;21-16-11-6-2-4-9-3-1-5-10(12(9)11)14-19-13-15(20(14)16)18-8-7-17-13;5*1-3-2;5*1-2/h4*1-9H;1-8H;5*3H2,1-2H3;5*1-2H3
• InChIKey: SHBKLCKVTSJAEF-UHFFFAOYSA-N
• XLogP: 26.54
• TPSA: 249.19 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1728.22
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one?

The IUPAC name of ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one (CID 160833166) is ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one.

What is the SMILES notation for ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one?

The canonical SMILES for ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one is CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.O=c1c2cccc3cccc(c32)c2nc3cccnc3n12.O=c1c2cccc3cccc(c32)c2nc3ccncc3n12.O=c1c2cccc3cccc(c32)c2nc3cnccc3n12.O=c1c2cccc3cccc(c32)c2nc3ncccc3n12.O=c1c2cccc3cccc(c32)c2nc3nccnc3n12.

What is the InChIKey of ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one?

The InChIKey is SHBKLCKVTSJAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H9N3O.C16H8N4O.5C3H8.5C2H6/c21-17-12-7-2-5-10-4-1-6-11(14(10)12)16-19-15-13(20(16)17)8-3-9-18-15;21-17-12-7-2-5-10-4-1-6-11(14(10)12)15-19-13-8-3-9-18-16(13)20(15)17;21-17-12-6-2-4-10-3-1-5-11(15(10)12)16-19-13-9-18-8-7-14(13)20(16)17;21-17-12-6-2-4-10-3-1-5-11(15(10)12)16-19-13-7-8-18-9-14(13)20(16)17;21-16-11-6-2-4-9-3-1-5-10(12(9)11)14-19-13-15(20(14)16)18-8-7-17-13;5*1-3-2;5*1-2/h4*1-9H;1-8H;5*3H2,1-2H3;5*1-2H3.

What are the key properties of ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one?

ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one has a molecular weight of 1728.22 g/mol, XLogP of 26.54, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;propane;3,5,8,10-tetrazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one;3,5,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,6,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,7,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;3,8,10-triazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one is sourced from PubChem (CID 160833166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).